 | | VRR | | Name: | ethyl N-benzyl-beta-alaninate | | Formula: | C12 H17 N O2 | | SMILES: | O=C(OCC)CCNCc1ccccc1 | | InChi: | InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl N-benzyl-beta-alaninate |
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 | | VS7 | | Name: | (2R)-1-(1H-indol-3-yl)propan-2-amine | | Formula: | C11 H14 N2 | | SMILES: | CC(N)Cc1c[NH]c2ccccc21 | | InChi: | InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-(1H-indol-3-yl)propan-2-amine |
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 | | VDD | | Name: | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid | | Formula: | C8 H9 N O2 S | | SMILES: | CC(Sc1ccccn1)C(=O)O | | InChi: | InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid |
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 | | UXB | | Name: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol | | Formula: | C9 H12 Cl N O | | SMILES: | NC(CCO)c1cc(Cl)ccc1 | | InChi: | InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1 | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol |
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 | | WBL | | Name: | propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate | | Formula: | C8 H13 N3 O2 S2 | | SMILES: | Nc1nnc(SC(C)C(=O)OCCC)s1 | | InChi: | InChI=1S/C8H13N3O2S2/c1-3-4-13-6(12)5(2)14-8-11-10-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,10)/t5-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate |
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 | | VF9 | | Name: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one | | Formula: | C12 H17 N O2 | | SMILES: | CC(=O)N1CCCCCC1c1ccco1 | | InChi: | InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one |
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 | | VFL | | Name: | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol | | Formula: | C11 H17 N O2 | | SMILES: | NCC(O)COc1ccc(C)cc1C | | InChi: | InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol |
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 | | VUN | | Name: | 4-{[(propan-2-yl)oxy]methyl}benzoic acid | | Formula: | C11 H14 O3 | | SMILES: | O=C(O)c1ccc(COC(C)C)cc1 | | InChi: | InChI=1S/C11H14O3/c1-8(2)14-7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-{[(propan-2-yl)oxy]methyl}benzoic acid |
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 | | VFR | | Name: | (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide | | Formula: | C10 H13 N3 O2 | | SMILES: | N=C(NO)CC(=O)NCc1ccccc1 | | InChi: | InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(H,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide |
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 | | VV0 | | Name: | 4-amino-3-methyl-N-(propan-2-yl)benzamide | | Formula: | C11 H16 N2 O | | SMILES: | Cc1cc(ccc1N)C(=O)NC(C)C | | InChi: | InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-4-5-10(12)8(3)6-9/h4-7H,12H2,1-3H3,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-amino-3-methyl-N-(propan-2-yl)benzamide |
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 | | V03 | | Name: | (3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol | | Formula: | C10 H15 N O2 | | SMILES: | COc1ccc(cc1)C(N)CCO | | InChi: | InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol |
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 | | VVK | | Name: | N-(2-methoxyphenyl)-2-methyl-L-alanine | | Formula: | C11 H15 N O3 | | SMILES: | COc1ccccc1NC(C)(C)C(=O)O | | InChi: | InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-methoxyphenyl)-2-methyl-L-alanine |
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 | | WD8 | | Name: | methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate | | Formula: | C11 H15 N O3 S | | SMILES: | O=C(N(CC(=O)OC)C(C)C)c1ccsc1 | | InChi: | InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate |
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 | | VVR | | Name: | 3-phenoxypropanoic acid | | Formula: | C9 H10 O3 | | SMILES: | O=C(O)CCOc1ccccc1 | | InChi: | InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-phenoxypropanoic acid |
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 | | VW3 | | Name: | N-hydroxy-3-phenoxypropanamide | | Formula: | C9 H11 N O3 | | SMILES: | ONC(=O)CCOc1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-3-phenoxypropanamide |
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 | | VH9 | | Name: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol | | Formula: | C11 H16 F N O | | SMILES: | OC(CNC(C)C)c1ccc(F)cc1 | | InChi: | InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol |
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 | | VIP | | Name: | 3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol | | Formula: | C9 H13 N O2 | | SMILES: | NC(C)(CO)c1cc(O)ccc1 | | InChi: | InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol |
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 | | VKO | | Name: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid | | Formula: | C13 H15 N O3 | | SMILES: | O=C(O)C1(CC1)C(=O)NCc1ccccc1C | | InChi: | InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid |
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 | | V4X | | Name: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile | | Formula: | C7 H10 N2 O S | | SMILES: | O=C(CC#N)N1CCSCC1 | | InChi: | InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile |
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 | | W0R | | Name: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide | | Formula: | C12 H18 N2 O S | | SMILES: | O=C(Nc1cccnc1)CCSCC(C)C | | InChi: | InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
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 | | W0X | | Name: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid | | Formula: | C10 H11 Br O4 S | | SMILES: | Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1 | | InChi: | InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid |
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 | | V5I | | Name: | 2-methyl-1-(2-methylphenyl)propan-2-amine | | Formula: | C11 H17 N | | SMILES: | NC(C)(C)Cc1ccccc1C | | InChi: | InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-methyl-1-(2-methylphenyl)propan-2-amine |
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 | | W2O | | Name: | D-phenylalaninamide | | Formula: | C9 H12 N2 O | | SMILES: | NC(Cc1ccccc1)C(N)=O | | InChi: | InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | D-phenylalaninamide |
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 | | W2U | | Name: | (2S)-2-phenoxypropanehydrazide | | Formula: | C9 H12 N2 O2 | | SMILES: | CC(Oc1ccccc1)C(=O)NN | | InChi: | InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-phenoxypropanehydrazide |
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 | | U39 | | Name: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide | | Formula: | C18 H20 N2 O4 S | | SMILES: | O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1 | | InChi: | InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21) | | Definition date: | 2022-08-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide |
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