A1ECN
Summary
| Name: | (3~{S})-1,2-diazinane-3-carboxylic acid |
| Synonyms: | (S)-Hexahydropyridazine-3-carboxylic acid S-Piperazic acid; (3S)-piperazate; (3S)-Pyridazin-3-carboxylate |
| Formula: | C5 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 130.145 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1,2-diazinane-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | BZIBRGSBQKLEDC-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCNN1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCNN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](NNC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(NNC1)C(=O)O |
