TL;DR: methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate (CAS 1173682-21-7) is a chemical compound with molecular formula C17H26N2O5 and molecular weight 338.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
Also Known As: methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate, (R)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-4-methylpentanoate, methyl (2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
| Molecular Formula | C17H26N2O5 |
| Molecular Weight | 338.18417 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.18417 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | CC(C)C[C@H](C(=O)OC)NC(=O)NCC1=CC(=C(C=C1)OC)OC |
| InChIKey | BSRFHUDUYOCPED-CYBMUJFWSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate. Following Lipinski's Rule of Five, methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate is 1173682-21-7.
The molecular formula of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate is C17H26N2O5.
The molecular weight of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-D-leucinate is 338.18417 g/mol.
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