TL;DR: N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine (CAS 1173669-23-2) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoic acid
Also Known As: N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine, (S)-2-(3-(3-acetamidophenyl)ureido)-3-phenylpropanoic acid, 2-[(3-acetamidophenyl)carbamoylamino]-3-phenyl-propanoic Acid, (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoic acid
| Molecular Formula | C18H19N3O4 |
| Molecular Weight | 341.13754 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.13754 Da |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
| SMILES | CC(=O)NC1=CC(=CC=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
| InChIKey | NPUFAGAFZBAPKQ-INIZCTEOSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine. Following Lipinski's Rule of Five, N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine has 4 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 N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine is 1173669-23-2.
The molecular formula of N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine is C18H19N3O4.
The molecular weight of N-{[3-(acetylamino)phenyl]carbamoyl}-L-phenylalanine is 341.13754 g/mol.
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