TL;DR: 3-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid (CAS 1396967-59-1) is a chemical compound with molecular formula C11H11ClN2O4 and molecular weight 270.04074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
Also Known As: 3-carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid, 2-(2-Chloro-benzoylamino)-succinamic acid, 2-(2-Chloro-benzoylamino)succinamic acid, 4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid, 3-carbamoyl-2-[(2-chlorobenzoyl)amino]propanoic Acid
| Molecular Formula | C11H11ClN2O4 |
| Molecular Weight | 270.04074 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.04074 Da |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(CC(=O)N)C(=O)O)Cl |
| InChIKey | ZHHYFQDAWUJSPO-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid. Following Lipinski's Rule of Five, 3-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic 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-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid is 1396967-59-1.
The molecular formula of 3-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid is C11H11ClN2O4.
The molecular weight of 3-Carbamoyl-2-[(2-chlorophenyl)formamido]propanoic acid is 270.04074 g/mol.
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