1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid (CAS 1133437-54-3) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: 1-(3-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID, 1-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic Acid, 1-(3-Chloro-benzyl)-pyrrolidine-2-carboxylic acid 1HCl salt
Technical Specifications
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.0713 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0713 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | C1CC(N(C1)CC2=CC(=CC=C2)Cl)C(=O)O |
| InChIKey | ZYBCTKJORPOWEA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzyl)pyrrolidine-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)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid is 1133437-54-3.
What is the molecular formula of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid is C12H14ClNO2.
What is the molecular weight of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid is 239.0713 g/mol.
Where can I buy 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(3-Chlorobenzyl)pyrrolidine-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)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.