(3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid (CAS 1049978-74-6) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
Also Known As: 4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid, (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=CC(=C2)C#N |
| InChIKey | VJUVSFBFNRDUCR-WDEREUQCSA-N |
Chemical Property Profile of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
The XLogP value of -1.7 indicates that (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid has 2 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 (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid is 1049978-74-6.
What is the molecular formula of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid is C12H12N2O2.
What is the molecular weight of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid is 216.08987 g/mol.
Where can I buy (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3S,4R)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.