YQI
Summary
| Name: | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid |
| Formula: | C8 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 197.191 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | ASNWLZWZIDHNOQ-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(=O)c1cc[nH]n1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1cc[nH]n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C(=O)O)NC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)O)NC(=O)c1cc[nH]n1 |
