1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
TL;DR: 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid (CAS 103201-07-6) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Also Known As: 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylicacid, 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid, 1-(3-Chloro-benzyl)-5-oxo-pyrrolidine-2-carboxylic acid, 1-[(3-Chlorophenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid, 1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Technical Specifications
| Molecular Formula | C12H12ClNO3 |
| Molecular Weight | 253.05057 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05057 Da |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| SMILES | C1CC(=O)N(C1C(=O)O)CC2=CC(=CC=C2)Cl |
| InChIKey | HTTLIOSKZPIJHB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
Property Insights of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-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-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid?
The CAS number of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid is 103201-07-6.
What is the molecular formula of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid?
The molecular formula of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid is C12H12ClNO3.
What is the molecular weight of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid?
The molecular weight of 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid is 253.05057 g/mol.
Where can I buy 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid?
You can request a quote for 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.