TL;DR: 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid (CAS 1330014-65-7) is a chemical compound with molecular formula C6H7N3O2 and molecular weight 153.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid
Also Known As: 2-Propenoic acid, 3-(2-amino-1H-imidazol-5-yl)-
| Molecular Formula | C6H7N3O2 |
| Molecular Weight | 153.05383 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.05383 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | C1=C(NC(=N1)N)C=CC(=O)O |
| InChIKey | MTYDACZSYUGMLT-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid is 1330014-65-7.
The molecular formula of 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid is C6H7N3O2.
The molecular weight of 3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid is 153.05383 g/mol.
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