TL;DR: N-[(3,5-dimethylphenyl)carbamoyl]-L-valine (CAS 1173668-19-3) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methylbutanoic acid
Also Known As: N-[(3,5-dimethylphenyl)carbamoyl]-L-valine, (S)-2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoic acid, 2-[(3,5-dimethylphenyl)carbamoylamino]-3-methyl-butanoic Acid, (2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methylbutanoic acid
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.1474 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.1474 Da |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
| SMILES | CC1=CC(=CC(=C1)NC(=O)N[C@@H](C(C)C)C(=O)O)C |
| InChIKey | CBJKNGYFAXFEPK-LBPRGKRZSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3,5-dimethylphenyl)carbamoyl]-L-valine. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3,5-dimethylphenyl)carbamoyl]-L-valine. Following Lipinski's Rule of Five, N-[(3,5-dimethylphenyl)carbamoyl]-L-valine has 3 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 N-[(3,5-dimethylphenyl)carbamoyl]-L-valine is 1173668-19-3.
The molecular formula of N-[(3,5-dimethylphenyl)carbamoyl]-L-valine is C14H20N2O3.
The molecular weight of N-[(3,5-dimethylphenyl)carbamoyl]-L-valine is 264.1474 g/mol.
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