A1BDB
(3S)-piperidine-3-carboxylic acid
| Created: | 2024-10-14 |
| Last modified: | 2024-11-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 20 |
| Chiral Atom Count | 1 |
| Bond Count | 20 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (3S)-piperidine-3-carboxylic acid |
| Systematic Name (OpenEye OEToolkits) | (3~{S})-piperidine-3-carboxylic acid |
| Formula | C6 H11 N O2 |
| Molecular Weight | 129.157 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCCNC1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCNC1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CNC1)C(=O)O |
| Canonical SMILES | CACTVS | 3.385 | OC(=O)[C@H]1CCCNC1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CNC1)C(=O)O |
| 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6575388, 6575389 |
| ChEMBL | CHEMBL77484 |
| ChEBI | CHEBI:222169 |
