01M
Summary
| Name: | (3S)-1-carbamimidoylpiperidine-3-carboxylic acid |
| Formula: | C7 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 171.197 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-1-carbamimidoylpiperidine-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-1-carbamimidoylpiperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCCN(C(=[N@H])N)C1 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)N1CCC[C@@H](C1)C(O)=O |
| SMILES | CACTVS | 3.370 | NC(=N)N1CCC[CH](C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(CN(C1)C(=N)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3O2/c8-7(9)10-3-1-2-5(4-10)6(11)12/h5H,1-4H2,(H3,8,9)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | GVADBJCGWVJBRF-YFKPBYRVSA-N |
