2-[(1,1-Dioxothiolan-3-yl)amino]-3-methylbutanoic acid

Base Information

• Chemical Name: 2-[(1,1-Dioxothiolan-3-yl)amino]-3-methylbutanoic acid
• CAS No.: 247109-34-8
• Molecular Formula: C9H17NO4S
• Molecular Weight: 235.30
• DSSTox Substance ID: DTXSID601266102
• Mol file: 247109-34-8.mol

Synonyms:247109-34-8;2-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl-amino)-3-methylbutyric acid;2-[(1,1-dioxothiolan-3-yl)amino]-3-methylbutanoic acid;{N}-(1,1-dioxidotetrahydro-3-thienyl)valine;SCHEMBL14673052;DTXSID601266102;MFCD00649166;STK700835;AKOS000301503;AKOS016049386;2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-3-methyl-butyric acid;(1,1-Dioxidotetrahydrothiophen-3-yl)valine;N-(1,1-Dioxidotetrahydro-3-thienyl)valine;CS-0318259;N-(Tetrahydro-1,1-dioxido-3-thienyl)valine;N-(1,1-dioxidotetrahydrothiophen-3-yl)valine

Chemical Property of 2-[(1,1-Dioxothiolan-3-yl)amino]-3-methylbutanoic acid

Chemical Property:

• PKA: 2.20±0.13(Predicted)
• XLogP3: -2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.08782920
• Heavy Atom Count: 15
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl-amino)-3-methylbutyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC1CCS(=O)(=O)C1