Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-
TL;DR: Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- (CAS 105099-09-0) is a chemical compound with molecular formula C9H16N2O2S and molecular weight 216.09325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanylbutanoic acid
Also Known As: Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-, 2-((3,4-Dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methylbutanoic acid, N-(3,4-Dihydro-2H-pyrrol-5-yl)-3-sulfanyl-L-valine, (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanylbutanoic acid, BRN 5518922
Technical Specifications
| Molecular Formula | C9H16N2O2S |
| Molecular Weight | 216.09325 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.09325 Da |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
| SMILES | CC(C)([C@@H](C(=O)O)NC1=NCCC1)S |
| InChIKey | RDHFLKJHPFOZNX-SSDOTTSWSA-N |
Chemical Property Profile of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-
Property Insights of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-. Following Lipinski's Rule of Five, Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- 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 Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-?
The CAS number of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- is 105099-09-0.
What is the molecular formula of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-?
The molecular formula of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- is C9H16N2O2S.
What is the molecular weight of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-?
The molecular weight of Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- is 216.09325 g/mol.
Where can I buy Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-?
You can request a quote for Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.