Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester
TL;DR: Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester (CAS 111038-10-9) is a chemical compound with molecular formula C11H15N3O3 and molecular weight 237.11134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-[1-(2-amino-2-oxoethyl)pyrrolidin-2-ylidene]-2-cyanoacetate
Also Known As: Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester, Ethyl (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyanoacetate, 2-(1-(2-Amino-2-oxoethyl)pyrrolidin-2-ylidene)-2-cyanoethyl acetate, ethyl (2E)-2-[1-(2-amino-2-oxoethyl)pyrrolidin-2-ylidene]-2-cyanoacetate, ethyl 2-[1-(2-amino-2-oxoethyl)pyrrolidin-2-ylidene]-2-cyanoacetate
Technical Specifications
| Molecular Formula | C11H15N3O3 |
| Molecular Weight | 237.11134 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.11134 Da |
| Heavy Atoms | 17 |
| Complexity | 405.0 |
| SMILES | CCOC(=O)/C(=C/1\CCCN1CC(=O)N)/C#N |
| InChIKey | BVQOUCRIFDLDGE-CMDGGOBGSA-N |
Chemical Property Profile of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester
Property Insights of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester?
The CAS number of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester is 111038-10-9.
What is the molecular formula of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester?
The molecular formula of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester is C11H15N3O3.
What is the molecular weight of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester?
The molecular weight of Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester is 237.11134 g/mol.
Where can I buy Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester?
You can request a quote for Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene)cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.