TL;DR: 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid (CAS 1396963-68-0) is a chemical compound with molecular formula C12H13ClN2O4 and molecular weight 284.0564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
Also Known As: 4-carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid, 4-Carbamoyl-2-(4-chloro-benzoylamino)-butyric acid, 5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid, 4-carbamoyl-2-[(4-chlorobenzoyl)amino]butanoic Acid, 4-carbamoyl-2-[(4-chlorophenyl)formamido]butanoicacid
| Molecular Formula | C12H13ClN2O4 |
| Molecular Weight | 284.0564 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.0564 Da |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)N)C(=O)O)Cl |
| InChIKey | GCDAAHJGEVACOC-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid. Following Lipinski's Rule of Five, 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic 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 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid is 1396963-68-0.
The molecular formula of 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid is C12H13ClN2O4.
The molecular weight of 4-Carbamoyl-2-[(4-chlorophenyl)formamido]butanoic acid is 284.0564 g/mol.
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