83O
Summary
| Name: | (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid |
| Formula: | C5 H8 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 156.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(4~{H}-1,2,4-triazol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | CAPORZWUTKSILW-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1[nH]cnn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1[nH]cnn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1[nH]c(nn1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1[nH]c(nn1)CC(C(=O)O)N |
