TL;DR: N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine (CAS 1173669-66-3) is a chemical compound with molecular formula C18H19FN2O3 and molecular weight 330.13797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[2-(2-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
Also Known As: N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine, (S)-2-(3-(2-fluorophenethyl)ureido)-3-phenylpropanoic acid, 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-3-phenyl-propanoic Acid, (2S)-2-[2-(2-fluorophenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
| Molecular Formula | C18H19FN2O3 |
| Molecular Weight | 330.13797 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.13797 Da |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)NCCC2=CC=CC=C2F |
| InChIKey | YOLHBWCNDAEDFC-INIZCTEOSA-N |
The XLogP value of 3.0 indicates that N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine. Following Lipinski's Rule of Five, N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine 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 N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine is 1173669-66-3.
The molecular formula of N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine is C18H19FN2O3.
The molecular weight of N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine is 330.13797 g/mol.
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