Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate
TL;DR: Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate (CAS 65523-04-8) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate, 3-(Ethoxycarbonyl)pyrrole-2-acetamide, ETHYL 2-(CARBAMOYLMETHYL)-1H-PYRROLE-3-CARBOXYLATE, RefChem:342364
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 65523-04-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=C1)CC(=O)N |
| InChIKey | PZDFQDIKMABNEE-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate (CAS 65523-04-8), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate
Property Insights of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate
The XLogP value of -0.2 indicates that Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate has 2 hydrogen bond donor(s) and 3 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 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate?
The CAS number of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate is 65523-04-8.
What is the molecular formula of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate is C9H12N2O3.
What is the molecular weight of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate is 196.08 g/mol.
Where can I buy Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-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 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.