MWQ
Summary
| Name: | 3-(1~{H}-imidazol-5-yl)propanoic acid |
| Formula: | C6 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 140.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-imidazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | ZCKYOWGFRHAZIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1[nH]cnc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)CCC(=O)O |
