3A0
Summary
| Name: | (2S,4S)-4-methylpiperidine-2-carboxylic acid |
| Formula: | C7 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 143.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4S)-4-methylpiperidine-2-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (2S,4S)-4-methylpiperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCCC(C)C1 |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | UQHCHLWYGMSPJC-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN[C@@H](C1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCN[CH](C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1CCN[C@@H](C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CCNC(C1)C(=O)O |
