N-(2-Cyanoethyl)glycine ethyl ester
TL;DR: N-(2-Cyanoethyl)glycine ethyl ester (CAS 44981-94-4) is a chemical compound with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-cyanoethylamino)acetate
Also Known As: ethyl 2-(2-cyanoethylamino)acetate, N- glycineethylester, N-(2-Cyanoethyl) GlycineEthyl Ester, ethyl (2-cyanoethyl)glycinate, Ethyl 2-((2-cyanoethyl)amino)acetate
| Molecular Formula | C7H12N2O2 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.08987 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 44981-94-4 |
|---|---|
| SMILES | CCOC(=O)CNCCC#N |
| InChIKey | SBPUJTNHAUBDKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Cyanoethyl)glycine ethyl ester (CAS 44981-94-4), with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol. IUPAC: ethyl 2-(2-cyanoethylamino)acetate.
Chemical Property Profile of N-(2-Cyanoethyl)glycine ethyl ester
Property Insights of N-(2-Cyanoethyl)glycine ethyl ester
The XLogP value of -0.2 indicates that N-(2-Cyanoethyl)glycine ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyanoethyl)glycine ethyl ester. Following Lipinski's Rule of Five, N-(2-Cyanoethyl)glycine ethyl ester has 1 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 N-(2-Cyanoethyl)glycine ethyl ester?
The CAS number of N-(2-Cyanoethyl)glycine ethyl ester is 44981-94-4.
What is the molecular formula of N-(2-Cyanoethyl)glycine ethyl ester?
The molecular formula of N-(2-Cyanoethyl)glycine ethyl ester is C7H12N2O2.
What is the molecular weight of N-(2-Cyanoethyl)glycine ethyl ester?
The molecular weight of N-(2-Cyanoethyl)glycine ethyl ester is 156.09 g/mol.
Where can I buy N-(2-Cyanoethyl)glycine ethyl ester?
You can request a quote for N-(2-Cyanoethyl)glycine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanoethyl)glycine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanoethyl)glycine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.