1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester
TL;DR: 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester (CAS 111749-37-2) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(3-carbamoyl-4H-pyridin-1-yl)propanoate
Also Known As: Ethyl 3-(3-carbamoyl-4H-pyridin-1-yl)propanoate, 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester, Ethyl 3-(3-carbamoylpyridin-1(4H)-yl)propanoate
Technical Specifications
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.11609 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.11609 Da |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
| SMILES | CCOC(=O)CCN1C=CCC(=C1)C(=O)N |
| InChIKey | UFASXQXPFXZCCB-UHFFFAOYSA-N |
Chemical Property Profile of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester
Property Insights of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester. Following Lipinski's Rule of Five, 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, 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
What is the CAS number of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester?
The CAS number of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester is 111749-37-2.
What is the molecular formula of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester?
The molecular formula of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester is C11H16N2O3.
What is the molecular weight of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester?
The molecular weight of 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester is 224.11609 g/mol.
Where can I buy 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester?
You can request a quote for 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1(4H)-Pyridinepropanoic acid, 3-(aminocarbonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.