Diethyl (acetylamino)(isobutyl)malonate
TL;DR: Diethyl (acetylamino)(isobutyl)malonate (CAS 151962-48-0) is a chemical compound with molecular formula C13H23NO5 and molecular weight 273.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-acetamido-2-(2-methylpropyl)propanedioate
Also Known As: diethyl (acetylamino)(isobutyl)malonate, acetylamino-isobutyl-malonic acid diethyl ester, Diethyl 2-acetamido-2-(2-methylpropyl)propanedioate, 1,3-diethyl 2-acetamido-2-(2-methylpropyl)propanedioate, 2-ACETYLAMINO-2-ISOBUTYL-MALONIC ACID DIETHYL ESTER
Technical Specifications
| Molecular Formula | C13H23NO5 |
| Molecular Weight | 273.15762 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 273.15762 Da |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
| SMILES | CCOC(=O)C(CC(C)C)(C(=O)OCC)NC(=O)C |
| InChIKey | UWLVQUHYFCNGEL-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (acetylamino)(isobutyl)malonate
Property Insights of Diethyl (acetylamino)(isobutyl)malonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (acetylamino)(isobutyl)malonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (acetylamino)(isobutyl)malonate. Following Lipinski's Rule of Five, Diethyl (acetylamino)(isobutyl)malonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl (acetylamino)(isobutyl)malonate?
The CAS number of Diethyl (acetylamino)(isobutyl)malonate is 151962-48-0.
What is the molecular formula of Diethyl (acetylamino)(isobutyl)malonate?
The molecular formula of Diethyl (acetylamino)(isobutyl)malonate is C13H23NO5.
What is the molecular weight of Diethyl (acetylamino)(isobutyl)malonate?
The molecular weight of Diethyl (acetylamino)(isobutyl)malonate is 273.15762 g/mol.
Where can I buy Diethyl (acetylamino)(isobutyl)malonate?
You can request a quote for Diethyl (acetylamino)(isobutyl)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (acetylamino)(isobutyl)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (acetylamino)(isobutyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.