1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 133747-81-6) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid, BB 0217897, 1-(4-(tert-Butyl)phenyl)-5-oxopyrrolidine-3-carboxylic acid, 1-(4-tert-Butylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid, 1-(4-tert-Butylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid #
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.1365 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1365 Da |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O |
| InChIKey | OOGSPIKJKLMYPV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenyl)-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-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 133747-81-6.
What is the molecular formula of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C15H19NO3.
What is the molecular weight of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 261.1365 g/mol.
Where can I buy 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(4-Tert-butylphenyl)-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-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(4-Tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.