2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
TL;DR: 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester (CAS 2445-91-2) is a chemical compound with molecular formula C13H21NO5 and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate
Also Known As: NCIOpen2_004480, Diethyl 3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylate, 2, 3-isopropyl-5-oxo-, diethyl ester, 5-22-07-00145 (Beilstein Handbook Reference), diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate
| Molecular Formula | C13H21NO5 |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.14197 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 2445-91-2 |
|---|---|
| SMILES | CCOC(=O)C1(C(CC(=O)N1)C(C)C)C(=O)OCC |
| InChIKey | GHUDFDQSAFRDJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester (CAS 2445-91-2), with molecular formula C13H21NO5 and molecular weight 271.14 g/mol. IUPAC: diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
Property Insights of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester. Following Lipinski's Rule of Five, 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-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 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester?
The CAS number of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester is 2445-91-2.
What is the molecular formula of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester?
The molecular formula of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester is C13H21NO5.
What is the molecular weight of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester?
The molecular weight of 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester is 271.14 g/mol.
Where can I buy 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester?
You can request a quote for 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-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 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.