TL;DR: 2-[(3-Methylphenyl)carbamoylamino]propanoic acid (CAS 1308955-67-0) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-methylphenyl)carbamoylamino]propanoic acid
Also Known As: (M-tolylcarbamoyl)alanine, 2-{[(3-METHYLPHENYL)CARBAMOYL]AMINO}PROPANOIC ACID, 2-[(3-methylphenyl)carbamoylamino]propanoic acid, (2R)-2-({[(3-methylphenyl)amino]carbonyl}amino)propanoic acid, 2-{[(3-METHYLPHENYL)CARBAMOYL]AMINO}PROPANOICACID
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)NC(C)C(=O)O |
| InChIKey | BELYOKXUIQMXES-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methylphenyl)carbamoylamino]propanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methylphenyl)carbamoylamino]propanoic acid. Following Lipinski's Rule of Five, 2-[(3-Methylphenyl)carbamoylamino]propanoic acid has 3 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 2-[(3-Methylphenyl)carbamoylamino]propanoic acid is 1308955-67-0.
The molecular formula of 2-[(3-Methylphenyl)carbamoylamino]propanoic acid is C11H14N2O3.
The molecular weight of 2-[(3-Methylphenyl)carbamoylamino]propanoic acid is 222.10045 g/mol.
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