1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid (CAS 22821-75-6) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid, ChemDiv3_014163, 1-(tert-butyl)-5-oxopyrrolidine-3-carboxylic acid, 3-methylsulfonylbenzonitrile, 1-tert-Butyl-5-oxo-3-pyrrolidinecarboxylic acid
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 0.718 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 241.73459 |
Chemical Identifiers
| CAS Number | 22821-75-6 |
|---|---|
| SMILES | CC(C)(C)N1CC(CC1=O)C(=O)O |
Product Overview
1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid (CAS 22821-75-6), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: 1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 0.718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid is 22821-75-6.
What is the molecular formula of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid is C9H15NO3.
What is the molecular weight of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid is 185.11 g/mol.
Where can I buy 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.