APP
Summary
| Name: | 1-ACETYL-2-CARBOXYPIPERIDINE |
| Formula: | C8 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 171.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-1-acetylpiperidine-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-ethanoylpiperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N1C(C(=O)O)CCCC1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N1CCCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N1CCCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N1CCCC[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)N1CCCCC1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | JACZWLDAHFCGCC-ZETCQYMHSA-N |
