1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid (CAS 122130-63-6) is a chemical compound with molecular formula C9H14N2O4S and molecular weight 246.06743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Also Known As: S-Nitrosocaptopril, 1-(2-methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Technical Specifications
| Molecular Formula | C9H14N2O4S |
| Molecular Weight | 246.06743 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06743 Da |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
| SMILES | CC(CSN=O)C(=O)N1CCCC1C(=O)O |
| InChIKey | HNIULCDUASSKOM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid is 122130-63-6.
What is the molecular formula of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid is C9H14N2O4S.
What is the molecular weight of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid is 246.06743 g/mol.
Where can I buy 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(2-Methyl-3-nitrososulfanylpropanoyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.