Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
TL;DR: Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid (CAS 1049978-19-9) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
Also Known As: Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, 4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, (3S,4R)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.07971 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07971 Da |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | FQRPQUABFIUZMG-VHSXEESVSA-N |
Chemical Property Profile of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
Property Insights of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
The XLogP value of -1.6 indicates that Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, Trans-4-(3-nitrophenyl)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 Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
The CAS number of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is 1049978-19-9.
What is the molecular formula of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is C11H12N2O4.
What is the molecular weight of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is 236.07971 g/mol.
Where can I buy Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Trans-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.