Histidine
| His | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Rotamer [] | |
|---|---|
| Conformer structure via 3Dmol.js |
| Physical properties [] | |
|---|---|
| Molecular mass | 155.15 g/mol [1] |
| Predicted LogP | -3.2 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C6H9N3O2 [1] |
| IUPAC name | 2-amino-3-(1H-imidazol-5-yl)propanoic acid [1] |
| SMILES | C1=C(NC=N1)CC(C(=O)O)N [1] |
| InChI | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) [1] |
| InChIKey | HNDVDQJCIGZPNO-UHFFFAOYSA-N [1] |
Histidine (also known as 2-Amino-3-(4-imidazolyl)propionsaeure, 2-azaniumyl-3-(1H-imidazol-5-yl)propanoate, Dtxcid40196658, 225-660-9, 2-amino-3-(1H-imidazol-4-yl)propanoic acid, H-DL-His-OH, Histidine Base, 26062-48-6, Mfcd00005208 or 184709-11-3) is a
Chemistry
Stereochemistry []
Histidine is a racemic mixture of the enantiomers.
| Stereoisomerism |
|---|
| Stereoisomer enumberation with rdkit |
Druglikeness
Lipinski's rule of five
Histidine matches Lipinski's rule of five.See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 773, Histidine. Accessed June 13, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/773
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Histidine. UNII: QU6SDF3Q03. Global Substance Registration System. Accessed June 13, 2026. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QU6SDF3Q03