TL;DR: methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate (CAS 1173667-43-0) is a chemical compound with molecular formula C16H23FN2O3 and molecular weight 310.16928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoate
Also Known As: methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate, (S)-methyl 2-(3-(4-fluorophenethyl)ureido)-4-methylpentanoate
| Molecular Formula | C16H23FN2O3 |
| Molecular Weight | 310.16928 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.16928 Da |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NCCC1=CC=C(C=C1)F |
| InChIKey | NBBZKICORNMIBV-AWEZNQCLSA-N |
The XLogP value of 3.1 indicates that methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate. Following Lipinski's Rule of Five, methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate has 2 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 methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate is 1173667-43-0.
The molecular formula of methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate is C16H23FN2O3.
The molecular weight of methyl N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-leucinate is 310.16928 g/mol.
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