Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
TL;DR: Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate (CAS 2181-33-1) is a chemical compound with molecular formula C9H13NO4 and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
Also Known As: ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate, 3-PYRROLIDINECARBOXYLICACID, 1-ACETYL-4-OXO-, ETHYL ESTER
| Molecular Formula | C9H13NO4 |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.08446 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 2181-33-1 |
|---|---|
| SMILES | CCOC(=O)C1CN(CC1=O)C(=O)C |
| InChIKey | KHFQTWZABTWLRK-UHFFFAOYSA-N |
Product Overview
Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate (CAS 2181-33-1), with molecular formula C9H13NO4 and molecular weight 199.08 g/mol. IUPAC: ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
Property Insights of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
The XLogP value of -0.2 indicates that Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate?
The CAS number of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate is 2181-33-1.
What is the molecular formula of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate?
The molecular formula of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate is C9H13NO4.
What is the molecular weight of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate?
The molecular weight of Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate is 199.08 g/mol.
Where can I buy Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate?
You can request a quote for Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.