TL;DR: (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid (CAS 114819-06-6) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
Also Known As: alpha-Methylhistidine, (R)-2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoic acid, (2R)-2-AMINO-3-(1H-IMIDAZOL-4-YL)-2-METHYLPROPANOIC ACID
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.08513 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.08513 Da |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
| SMILES | C[C@@](CC1=CN=CN1)(C(=O)O)N |
| InChIKey | HRRYYCWYCMJNGA-SSDOTTSWSA-N |
The XLogP value of -2.4 indicates that (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid. Following Lipinski's Rule of Five, (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid is 114819-06-6.
The molecular formula of (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid is C7H11N3O2.
The molecular weight of (2R)-2-Amino-3-(1H-imidazol-4-YL)-2-methylpropanoic acid is 169.08513 g/mol.
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