TL;DR: methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate (CAS 1173682-95-5) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[(3-acetylphenyl)carbamoylamino]-3-methylbutanoate
Also Known As: methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate, (R)-methyl 2-(3-(3-acetylphenyl)ureido)-3-methylbutanoate, methyl (2R)-2-[(3-acetylphenyl)carbamoylamino]-3-methylbutanoate
| Molecular Formula | C15H20N2O4 |
| Molecular Weight | 292.1423 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.1423 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | CC(C)[C@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)C(=O)C |
| InChIKey | NMDOATJCHBDZNG-CYBMUJFWSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate. Following Lipinski's Rule of Five, methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate 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-[(3-acetylphenyl)carbamoyl]-D-valinate is 1173682-95-5.
The molecular formula of methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate is C15H20N2O4.
The molecular weight of methyl N-[(3-acetylphenyl)carbamoyl]-D-valinate is 292.1423 g/mol.
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