TL;DR: 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid (CAS 1396967-24-0) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-[(6-methylquinazolin-4-yl)amino]propanoic acid
Also Known As: (6-Methylquinazolin-4-yl)serine, N-(6-methyl-4-quinazolinyl)serine, N-(6-methylquinazolin-4-yl)serine, BAS 01911737, 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.09569 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CC1=CC2=C(C=C1)N=CN=C2NC(CO)C(=O)O |
| InChIKey | ZAINEHOBJMDUFT-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid. Following Lipinski's Rule of Five, 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid is 1396967-24-0.
The molecular formula of 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid is C12H13N3O3.
The molecular weight of 3-Hydroxy-2-((6-methylquinazolin-4-yl)amino)propanoic acid is 247.09569 g/mol.
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