NOU
Summary
| Name: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid |
| Formula: | C9 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 195.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-(pyridin-2-ylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCNc1ccccn1 |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QJIQHEBKRNDRHG-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCNc1ccccn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCNc1ccccn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NCCC(C(=O)O)N |
