(3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CAS 1049980-06-4) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Also Known As: (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid, 980D064, 3-Pyrrolidinecarboxylicacid, 4-(2,3-dimethoxyphenyl)-, (3S,4R)-, (3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.11575 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 Da |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
| SMILES | COC1=CC=CC(=C1OC)[C@@H]2CNC[C@H]2C(=O)O |
| InChIKey | HNZCOZZIPXDYED-VHSXEESVSA-N |
Chemical Property Profile of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
The XLogP value of -1.5 indicates that (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid has 2 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 (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is 1049980-06-4.
What is the molecular formula of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is C13H17NO4.
What is the molecular weight of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is 251.11575 g/mol.
Where can I buy (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3S,4R)-4-(2,3-dimethoxyphenyl)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-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.