TL;DR: N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine (CAS 1173669-17-4) is a chemical compound with molecular formula C12H15FN2O3 and molecular weight 254.10667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
Also Known As: AB01291653-01, N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine, (S)-2-(3-(2-fluorophenethyl)ureido)propanoic acid, 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic Acid, (2S)-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
| Molecular Formula | C12H15FN2O3 |
| Molecular Weight | 254.10667 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.10667 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)NCCC1=CC=CC=C1F |
| InChIKey | JKYHUIFBKZGCIG-QMMMGPOBSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine. Following Lipinski's Rule of Five, N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine 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-alanine is 1173669-17-4.
The molecular formula of N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine is C12H15FN2O3.
The molecular weight of N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-alanine is 254.10667 g/mol.
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