TL;DR: 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid (CAS 1396979-08-0) is a chemical compound with molecular formula C20H21ClN4O5 and molecular weight 432.12006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
Also Known As: 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid, 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenyl-propanoic Acid, 2-[2-(2-{[(3-chlorophenyl)amino]carbonylamino}acetylamino)acetylamino]-3-pheny lpropanoic acid
| Molecular Formula | C20H21ClN4O5 |
| Molecular Weight | 432.12006 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.12006 Da |
| Heavy Atoms | 30 |
| Complexity | 612.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)CNC(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | WHBMOKUGGNCTKW-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid has 5 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 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is 1396979-08-0.
The molecular formula of 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is C20H21ClN4O5.
The molecular weight of 2-[[2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is 432.12006 g/mol.
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