N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid
TL;DR: N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid (CAS 125421-24-1) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-aminophenyl)carbamothioyl]pyrrolidine-2-carboxylic acid
Also Known As: 2-Amino-ptc-pro, o-Amino-ptc-proline, 1-[(2-aminophenyl)carbamothioyl]pyrrolidine-2-carboxylic acid, N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid, 1-{[(2-Aminophenyl)imino](sulfanyl)methyl}proline
Technical Specifications
| Molecular Formula | C12H15N3O2S |
| Molecular Weight | 265.0885 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0885 Da |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
| SMILES | C1CC(N(C1)C(=S)NC2=CC=CC=C2N)C(=O)O |
| InChIKey | UQLKULVDTBNSTR-UHFFFAOYSA-N |
Chemical Property Profile of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid
Property Insights of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid has 3 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 N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid?
The CAS number of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid is 125421-24-1.
What is the molecular formula of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid?
The molecular formula of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid is C12H15N3O2S.
What is the molecular weight of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid?
The molecular weight of N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid is 265.0885 g/mol.
Where can I buy N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid?
You can request a quote for N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.