![methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate structure](/static/products/117/1173677-34-3.webp)
methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate
TL;DR: methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate (CAS 1173677-34-3) 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)-3-methyl-2-[(4-methylphenyl)methylcarbamoylamino]butanoate
Also Known As: methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate, (R)-methyl 3-methyl-2-(3-(4-methylbenzyl)ureido)butanoate, methyl (2R)-3-methyl-2-[(4-methylphenyl)methylcarbamoylamino]butanoate
Technical Specifications
| 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 | 6 |
| Exact Mass | 278.16306 Da |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)N[C@H](C(C)C)C(=O)OC |
| InChIKey | NQKKEUFXXDSESR-CYBMUJFWSA-N |
Chemical Property Profile of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate
Property Insights of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate. Following Lipinski's Rule of Five, methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate?
The CAS number of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate is 1173677-34-3.
What is the molecular formula of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate?
The molecular formula of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate is C15H22N2O3.
What is the molecular weight of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate?
The molecular weight of methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate is 278.16306 g/mol.
Where can I buy methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate?
You can request a quote for methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate?
Yes, CoreyChem provides custom synthesis services for methyl N-[(4-methylbenzyl)carbamoyl]-D-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.