Ethyl 3-oxopyrrolidine-1-carboxylate
TL;DR: Ethyl 3-oxopyrrolidine-1-carboxylate (CAS 114724-98-0) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-oxopyrrolidine-1-carboxylate
Also Known As: ethyl 3-oxopyrrolidine-1-carboxylate, 1-N-Ethoxycarbonyl-3-pyrrolidone, 1-Ethoxycarbonyl-3-pyrrolidone, Bismuth oxide salicylate, ethoxycarbonyl-3-pyrrolidone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.0739 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0739 Da |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
| SMILES | CCOC(=O)N1CCC(=O)C1 |
| InChIKey | DQYGBMLEVQLDQC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-oxopyrrolidine-1-carboxylate
Property Insights of Ethyl 3-oxopyrrolidine-1-carboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxopyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 3-oxopyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxopyrrolidine-1-carboxylate has 0 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 Ethyl 3-oxopyrrolidine-1-carboxylate?
The CAS number of Ethyl 3-oxopyrrolidine-1-carboxylate is 114724-98-0.
What is the molecular formula of Ethyl 3-oxopyrrolidine-1-carboxylate?
The molecular formula of Ethyl 3-oxopyrrolidine-1-carboxylate is C7H11NO3.
What is the molecular weight of Ethyl 3-oxopyrrolidine-1-carboxylate?
The molecular weight of Ethyl 3-oxopyrrolidine-1-carboxylate is 157.0739 g/mol.
Where can I buy Ethyl 3-oxopyrrolidine-1-carboxylate?
You can request a quote for Ethyl 3-oxopyrrolidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-oxopyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-oxopyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.