TL;DR: 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid (CAS 1185163-31-8) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(6-methylquinazolin-4-yl)amino]propanoic acid
Also Known As: 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid, 3-[(6-methylquinazolin-4-yl)amino]propanoic acid, 3-((6-Methylquinazolin-4-yl)amino)propanoic acid, BAS 03501128, N-(6-methyl-4-quinazolinyl)-beta-alanine
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.10077 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | CC1=CC2=C(C=C1)N=CN=C2NCCC(=O)O |
| InChIKey | NNCKPXTUKVSBID-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid. Following Lipinski's Rule of Five, 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid is 1185163-31-8.
The molecular formula of 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid is C12H13N3O2.
The molecular weight of 3-(6-Methyl-quinazolin-4-ylamino)-propionic acid is 231.10077 g/mol.
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