HL3
Summary
| Name: | 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid |
| Formula: | C8 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-9-7(10)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | UXKUKTPAIPSEHC-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)n1ccnc1C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)n1ccnc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C)n1ccnc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)n1ccnc1C(=O)O |
