3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid
TL;DR: 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid (CAS 105099-11-4) is a chemical compound with molecular formula C10H18N2O2S and molecular weight 230.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-methyl-2-[(1-methylpyrrolidin-2-ylidene)amino]-3-sulfanylbutanoic acid
Also Known As: 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid, Butanoic acid, 3-mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)-, (2R)-3-methyl-2-[(1-methylpyrrolidin-2-ylidene)amino]-3-sulfanylbutanoic acid, BRN 5526037
Technical Specifications
| Molecular Formula | C10H18N2O2S |
| Molecular Weight | 230.1089 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.1089 Da |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
| SMILES | CC(C)([C@@H](C(=O)O)N=C1CCCN1C)S |
| InChIKey | IZXUNIXXQYSAGV-MRVPVSSYSA-N |
Chemical Property Profile of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid
Property Insights of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid. With a topological polar surface area (TPSA) of 53.9 Ų, 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic 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 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid?
The CAS number of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid is 105099-11-4.
What is the molecular formula of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid?
The molecular formula of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid is C10H18N2O2S.
What is the molecular weight of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid?
The molecular weight of 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid is 230.1089 g/mol.
Where can I buy 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid?
You can request a quote for 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.