Pyrrolidine-2,4-dicarboxylic acid
TL;DR: Pyrrolidine-2,4-dicarboxylic acid (CAS 99319-03-6) is a chemical compound with molecular formula C6H9NO4 and molecular weight 159.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrrolidine-2,4-dicarboxylic acid
Also Known As: Pyrrolidine-2,4-dicarboxylic acid, Thiohexam, 2,4-Pyrrolidinedicarboxylic acid, Pdc-2,4, t-PDC
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9NO4 |
| Molecular Weight | 159.05316 g/mol |
| XLogP | -3.2 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.05316 Da |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
| SMILES | C1C(CNC1C(=O)O)C(=O)O |
| InChIKey | NRSBQSJHFYZIPH-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolidine-2,4-dicarboxylic acid
Property Insights of Pyrrolidine-2,4-dicarboxylic acid
The XLogP value of -3.2 indicates that Pyrrolidine-2,4-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidine-2,4-dicarboxylic acid. Following Lipinski's Rule of Five, Pyrrolidine-2,4-dicarboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrrolidine-2,4-dicarboxylic acid?
The CAS number of Pyrrolidine-2,4-dicarboxylic acid is 99319-03-6.
What is the molecular formula of Pyrrolidine-2,4-dicarboxylic acid?
The molecular formula of Pyrrolidine-2,4-dicarboxylic acid is C6H9NO4.
What is the molecular weight of Pyrrolidine-2,4-dicarboxylic acid?
The molecular weight of Pyrrolidine-2,4-dicarboxylic acid is 159.05316 g/mol.
Where can I buy Pyrrolidine-2,4-dicarboxylic acid?
You can request a quote for Pyrrolidine-2,4-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolidine-2,4-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for Pyrrolidine-2,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.