Ethyl 2-(cyanoimino)-1-pyrrolidineacetate
TL;DR: Ethyl 2-(cyanoimino)-1-pyrrolidineacetate (CAS 150012-85-4) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-cyanoiminopyrrolidin-1-yl)acetate
Also Known As: 1-Ethoxycarbonyl-2-cyanopyrrolidine, Ethyl 2-(cyanoimino)-1-pyrrolidineacetate, ethyl 2-(2-cyanoiminopyrrolidin-1-yl)acetate, 1-Pyrrolidineacetic acid, 2-(cyanoimino)-, ethyl ester, ETHYL (2-(CYANOIMINO)-1-PYRROLIDINYL)ACETATE
Technical Specifications
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.10077 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.10077 Da |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
| SMILES | CCOC(=O)CN1CCCC1=NC#N |
| InChIKey | HPYCSSKGXITAHU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate
Property Insights of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(cyanoimino)-1-pyrrolidineacetate. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(cyanoimino)-1-pyrrolidineacetate. Following Lipinski's Rule of Five, Ethyl 2-(cyanoimino)-1-pyrrolidineacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate?
The CAS number of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate is 150012-85-4.
What is the molecular formula of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate?
The molecular formula of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate is C9H13N3O2.
What is the molecular weight of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate?
The molecular weight of Ethyl 2-(cyanoimino)-1-pyrrolidineacetate is 195.10077 g/mol.
Where can I buy Ethyl 2-(cyanoimino)-1-pyrrolidineacetate?
You can request a quote for Ethyl 2-(cyanoimino)-1-pyrrolidineacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(cyanoimino)-1-pyrrolidineacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(cyanoimino)-1-pyrrolidineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.