TL;DR: methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate (CAS 1212687-27-8) is a chemical compound with molecular formula C17H17FN2O3 and molecular weight 316.1223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[(4-fluorophenyl)carbamoylamino]-3-phenylpropanoate
Also Known As: methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate, methyl (2R)-2-[(4-fluorophenyl)carbamoylamino]-3-phenylpropanoate
| Molecular Formula | C17H17FN2O3 |
| Molecular Weight | 316.1223 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.1223 Da |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
| SMILES | COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)F |
| InChIKey | NMNAIMBXFKAHQX-OAHLLOKOSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate. Following Lipinski's Rule of Five, methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate 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-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate is 1212687-27-8.
The molecular formula of methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate is C17H17FN2O3.
The molecular weight of methyl N-[(4-fluorophenyl)carbamoyl]-D-phenylalaninate is 316.1223 g/mol.
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