A1BDB
Summary
| Name: | (3S)-piperidine-3-carboxylic acid |
| Formula: | C6 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 129.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-piperidine-3-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | XJLSEXAGTJCILF-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCNC1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCNC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CNC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CNC1)C(=O)O |
