1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid
TL;DR: 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid (CAS 100394-11-4) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid, 7155AC, 1-(4-acetylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid, 1-(4-acetylphenyl)-5-oxo-pyrrolidine-3-carboxylic Acid, 1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylicacid
Technical Specifications
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.08446 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O |
| InChIKey | SQGYWRZISBCKMW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid
Property Insights of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid. Following Lipinski's Rule of Five, 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid 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-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid?
The CAS number of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid is 100394-11-4.
What is the molecular formula of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid?
The molecular formula of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid is C13H13NO4.
What is the molecular weight of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid?
The molecular weight of 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid is 247.08446 g/mol.
Where can I buy 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid?
You can request a quote for 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid?
Yes, CoreyChem provides custom synthesis services for 1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.