methyl N-(benzylcarbamoyl)-D-alaninate
TL;DR: methyl N-(benzylcarbamoyl)-D-alaninate (CAS 1173681-49-6) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-(benzylcarbamoylamino)propanoate
Also Known As: methyl N-(benzylcarbamoyl)-D-alaninate, (R)-methyl 2-(3-benzylureido)propanoate, methyl (2R)-2-(benzylcarbamoylamino)propanoate
Technical Specifications
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.11609 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11609 Da |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
| SMILES | C[C@H](C(=O)OC)NC(=O)NCC1=CC=CC=C1 |
| InChIKey | MVOSXBFYMONFPD-SECBINFHSA-N |
Chemical Property Profile of methyl N-(benzylcarbamoyl)-D-alaninate
Property Insights of methyl N-(benzylcarbamoyl)-D-alaninate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(benzylcarbamoyl)-D-alaninate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(benzylcarbamoyl)-D-alaninate. Following Lipinski's Rule of Five, methyl N-(benzylcarbamoyl)-D-alaninate 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-(benzylcarbamoyl)-D-alaninate?
The CAS number of methyl N-(benzylcarbamoyl)-D-alaninate is 1173681-49-6.
What is the molecular formula of methyl N-(benzylcarbamoyl)-D-alaninate?
The molecular formula of methyl N-(benzylcarbamoyl)-D-alaninate is C12H16N2O3.
What is the molecular weight of methyl N-(benzylcarbamoyl)-D-alaninate?
The molecular weight of methyl N-(benzylcarbamoyl)-D-alaninate is 236.11609 g/mol.
Where can I buy methyl N-(benzylcarbamoyl)-D-alaninate?
You can request a quote for methyl N-(benzylcarbamoyl)-D-alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-(benzylcarbamoyl)-D-alaninate?
Yes, CoreyChem provides custom synthesis services for methyl N-(benzylcarbamoyl)-D-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.