TL;DR: N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine (CAS 1173681-31-6) is a chemical compound with molecular formula C16H24N2O5 and molecular weight 324.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoic acid
Also Known As: N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine, (S)-2-(3-(2,4-dimethoxybenzyl)ureido)-4-methylpentanoic acid, (2S)-2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoic acid, 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-4-methyl-pentanoic Acid
| Molecular Formula | C16H24N2O5 |
| Molecular Weight | 324.16852 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.16852 Da |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)NCC1=C(C=C(C=C1)OC)OC |
| InChIKey | WBYLOOZNRZVRGR-ZDUSSCGKSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine. Following Lipinski's Rule of Five, N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine has 3 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 N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine is 1173681-31-6.
The molecular formula of N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine is C16H24N2O5.
The molecular weight of N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine is 324.16852 g/mol.
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