A1D9S
Summary
| Name: | 3-carbamimidamidopropanoic acid |
| Synonyms: | beta-Guanidinopropionic acid Guanidinopropionic acid; ompenaclid |
| Formula: | C4 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 131.133 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-carbamimidamidopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) |
| InChIKey | InChI | 1.06 | KMXXSJLYVJEBHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CNC(=N)N)C(=O)O |
