3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester
TL;DR: 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester (CAS 76464-70-5) is a chemical compound with molecular formula C10H15NO5 and molecular weight 229.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-oxopyrrolidine-3,3-dicarboxylate
Also Known As: diethyl 2-oxopyrrolidine-3,3-dicarboxylate, 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester
| Molecular Formula | C10H15NO5 |
|---|---|
| Molecular Weight | 229.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 229.09502 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 76464-70-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCNC1=O)C(=O)OCC |
| InChIKey | BMXKDQCIUZBACG-UHFFFAOYSA-N |
Product Overview
3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester (CAS 76464-70-5), with molecular formula C10H15NO5 and molecular weight 229.10 g/mol. IUPAC: diethyl 2-oxopyrrolidine-3,3-dicarboxylate.
Chemical Property Profile of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester
Property Insights of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester. Following Lipinski's Rule of Five, 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester 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 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester?
The CAS number of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester is 76464-70-5.
What is the molecular formula of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester?
The molecular formula of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester is C10H15NO5.
What is the molecular weight of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester?
The molecular weight of 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester is 229.10 g/mol.
Where can I buy 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester?
You can request a quote for 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Pyrrolidinedicarboxylic acid, 2-oxo-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.