Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate
TL;DR: Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate (CAS 2832-45-3) is a chemical compound with molecular formula C11H17NO5 and molecular weight 243.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate
Also Known As: diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate, 5,5-bis(ethoxycarbonyl)-4-methylpyrrolidone, 3-Methyl-5-oxo-pyrrolidin-2,2-dicarbonsaeure-diaethylester, 2,2-Pyrrolidinedicarboxylicacid, 3-methyl-5-oxo-, 2,2-diethyl ester
| Molecular Formula | C11H17NO5 |
|---|---|
| Molecular Weight | 243.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.11067 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 2832-45-3 |
|---|---|
| SMILES | CCOC(=O)C1(C(CC(=O)N1)C)C(=O)OCC |
| InChIKey | ABPOVAJYXVTDRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate (CAS 2832-45-3), with molecular formula C11H17NO5 and molecular weight 243.11 g/mol. IUPAC: diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate
Property Insights of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate 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
Frequently Asked Questions
What is the CAS number of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate?
The CAS number of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate is 2832-45-3.
What is the molecular formula of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate?
The molecular formula of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate is C11H17NO5.
What is the molecular weight of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate?
The molecular weight of Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate is 243.11 g/mol.
Where can I buy Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate?
You can request a quote for Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.