A1I0O
Summary
| Name: | 4-(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 | 4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | TXDAWKRCWXQSRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCNC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCNC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]nc1C(=O)NCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]nc1C(=O)NCCCC(=O)O |
