1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid (CAS 116167-46-5) is a chemical compound with molecular formula C11H19NO3 and molecular weight 213.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hexyl-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-hexyl-5-oxopyrrolidine-3-carboxylic acid, 1-Hexyl-4-carboxy-2-pyrrolidone, 1-Hexyl-5-oxo-3-pyrrolidinecarboxylic acid, 1H-Imidazole-2-ethanethioamide, NIOSH/UY0371000
Technical Specifications
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.13649 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 213.13649 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | CCCCCCN1CC(CC1=O)C(=O)O |
| InChIKey | VHKDTUOUWLJSJT-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-Hexyl-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid is 116167-46-5.
What is the molecular formula of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid is C11H19NO3.
What is the molecular weight of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid is 213.13649 g/mol.
Where can I buy 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Hexyl-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.