A1JVC
Summary
| Name: | (3S,4S)-1-(3-cyano-6-methyl-pyridin-2-yl)-4-propan-2-yl-pyrrolidine-3-carboxylic acid |
| Synonyms: | (3S,4S)-1-(3-cyano-6-methylpyridin-2-yl)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid |
| Formula: | C15 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 273.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{S})-1-(3-cyano-6-methyl-pyridin-2-yl)-4-propan-2-yl-pyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H19N3O2/c1-9(2)12-7-18(8-13(12)15(19)20)14-11(6-16)5-4-10(3)17-14/h4-5,9,12-13H,7-8H2,1-3H3,(H,19,20)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | HMSJFQPDVVCKLD-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1CN(C[C@H]1C(O)=O)c2nc(C)ccc2C#N |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1CN(C[CH]1C(O)=O)c2nc(C)ccc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(n1)N2C[C@H]([C@@H](C2)C(=O)O)C(C)C)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(n1)N2CC(C(C2)C(=O)O)C(C)C)C#N |
