TL;DR: methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate (CAS 1173677-09-2) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[(4-methylphenyl)carbamoylamino]-3-phenylpropanoate
Also Known As: (R)-methyl 3-phenyl-2-(3-(p-tolyl)ureido)propanoate, methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate, methyl (2R)-2-[(4-methylphenyl)carbamoylamino]-3-phenylpropanoate
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.1474 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1474 Da |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC |
| InChIKey | UVQHJKBPQCGGCP-MRXNPFEDSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate. Following Lipinski's Rule of Five, methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate is 1173677-09-2.
The molecular formula of methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate is C18H20N2O3.
The molecular weight of methyl N-[(4-methylphenyl)carbamoyl]-D-phenylalaninate is 312.1474 g/mol.
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