UCQ
Summary
| Name: | (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
| Formula: | C9 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 197.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | CWMBQCIYEIIZOY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@@H](Cc1cncn1C)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)[CH](Cc1cncn1C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cncc1C[C@@H](C(=O)O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cncc1CC(C(=O)O)N(C)C |
