TL;DR: methyl N-(benzylcarbamoyl)-D-leucinate (CAS 1173682-46-6) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-(benzylcarbamoylamino)-4-methylpentanoate
Also Known As: methyl N-(benzylcarbamoyl)-D-leucinate, (R)-methyl 2-(3-benzylureido)-4-methylpentanoate, methyl (2R)-2-(benzylcarbamoylamino)-4-methylpentanoate
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.16306 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.16306 Da |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
| SMILES | CC(C)C[C@H](C(=O)OC)NC(=O)NCC1=CC=CC=C1 |
| InChIKey | KIXCJEUKTTUAPC-CYBMUJFWSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(benzylcarbamoyl)-D-leucinate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(benzylcarbamoyl)-D-leucinate. Following Lipinski's Rule of Five, methyl N-(benzylcarbamoyl)-D-leucinate 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-(benzylcarbamoyl)-D-leucinate is 1173682-46-6.
The molecular formula of methyl N-(benzylcarbamoyl)-D-leucinate is C15H22N2O3.
The molecular weight of methyl N-(benzylcarbamoyl)-D-leucinate is 278.16306 g/mol.
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