Ethyl 2-(2-cyanoethylcarbamoylamino)acetate
TL;DR: Ethyl 2-(2-cyanoethylcarbamoylamino)acetate (CAS 90641-79-5) is a chemical compound with molecular formula C8H13N3O3 and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-cyanoethylcarbamoylamino)acetate
Also Known As: phosphanylidyneyttrium, ethyl 2-(2-cyanoethylcarbamoylamino)acetate, N-[(2-cyanoethyl)carbamoyl]-glycine, ethyl ester, Acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester, ETHYL 2-{[(2-CYANOETHYL)CARBAMOYL]AMINO}ACETATE
| Molecular Formula | C8H13N3O3 |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 199.09569 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 90641-79-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)NCCC#N |
| InChIKey | IGKSODBCEFQNCG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-cyanoethylcarbamoylamino)acetate (CAS 90641-79-5), with molecular formula C8H13N3O3 and molecular weight 199.10 g/mol. IUPAC: ethyl 2-(2-cyanoethylcarbamoylamino)acetate.
Chemical Property Profile of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate
Property Insights of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate
The XLogP value of -0.7 indicates that Ethyl 2-(2-cyanoethylcarbamoylamino)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-cyanoethylcarbamoylamino)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-cyanoethylcarbamoylamino)acetate has 2 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 2-(2-cyanoethylcarbamoylamino)acetate?
The CAS number of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate is 90641-79-5.
What is the molecular formula of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate?
The molecular formula of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate is C8H13N3O3.
What is the molecular weight of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate?
The molecular weight of Ethyl 2-(2-cyanoethylcarbamoylamino)acetate is 199.10 g/mol.
Where can I buy Ethyl 2-(2-cyanoethylcarbamoylamino)acetate?
You can request a quote for Ethyl 2-(2-cyanoethylcarbamoylamino)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-(2-cyanoethylcarbamoylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-cyanoethylcarbamoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.