12N
Summary
| Name: | (2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid |
| Formula: | C8 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 173.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,3S)-3-azanyl-4-cyclobutyl-2-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(N)CC1CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO3/c9-6(7(10)8(11)12)4-5-2-1-3-5/h5-7,10H,1-4,9H2,(H,11,12)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | GKGGRKROASKKFG-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC1CCC1)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CC1CCC1)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(C1)CC(C(C(=O)O)O)N |
