![ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate structure](/static/products/5209/5209-10-9.webp)
ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate
TL;DR: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate (CAS 5209-10-9) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate
Also Known As: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate, ethyl N-(3-amino-2-cyano-1-methyl-3-oxo-1-propen-1-yl)glycinate, ETHYL 2-{[(1E)-1-CARBAMOYL-1-CYANOPROP-1-EN-2-YL]AMINO}ACETATE, Ethyl N-[(2E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | -0.57802 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 327.9845 |
Chemical Identifiers
| CAS Number | 5209-10-9 |
|---|---|
| SMILES | CCOC(=O)CN/C(=C(\C#N)/C(=O)N)/C |
Product Overview
ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate (CAS 5209-10-9), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate.
Chemical Property Profile of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate
Property Insights of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate
The XLogP value of -0.57802 indicates that ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate. Following Lipinski's Rule of Five, ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate has 2 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 ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate?
The CAS number of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate is 5209-10-9.
What is the molecular formula of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate?
The molecular formula of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate is C9H13N3O3.
What is the molecular weight of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate?
The molecular weight of ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate is 211.10 g/mol.
Where can I buy ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate?
You can request a quote for ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.