TL;DR: methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate (CAS 1173672-36-0) is a chemical compound with molecular formula C15H22N2O3S and molecular weight 310.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[(3,5-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoate
Also Known As: methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate, (R)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-4-(methylthio)butanoate, methyl (2R)-2-[(3,5-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C15H22N2O3S |
| Molecular Weight | 310.1351 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.1351 Da |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
| SMILES | CC1=CC(=CC(=C1)NC(=O)N[C@H](CCSC)C(=O)OC)C |
| InChIKey | DUXNUTPLPKTXCB-CYBMUJFWSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate. Following Lipinski's Rule of Five, methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate 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-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate is 1173672-36-0.
The molecular formula of methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate is C15H22N2O3S.
The molecular weight of methyl N-[(3,5-dimethylphenyl)carbamoyl]-D-methioninate is 310.1351 g/mol.
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