3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid

Base Information

• Chemical Name: 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid
• CAS No.: 454473-83-7
• Molecular Formula: C15H21NO4S
• Molecular Weight: 311.4
• DSSTox Substance ID: DTXSID201142495
• Mol file: 454473-83-7.mol

Synonyms:3-[(tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid;454473-83-7;3-n-boc-3-(4-methylthiophenyl)propionic acid;3-{[(tert-butoxy)carbonyl]amino}-3-[4-(methylsulfanyl)phenyl]propanoic acid;3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoic Acid;DTXSID201142495;MFCD03001311;AKOS005071230;CS-0273164;EN300-1071622;9R-0627;3-(tert-butoxycarbonylamino)-3-(4-(methylthio)phenyl)propanoic acid;3-((Tert-butoxycarbonyl)amino)-3-(4-(methylthio)phenyl)propanoic acid;3-[(tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoicacid;beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(methylthio)benzenepropanoic acid

Chemical Property of 3-[(Tert-butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid

Chemical Property:

• PKA: 4.34±0.10(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 311.11912932
• Heavy Atom Count: 21
• Complexity: 359

Purity/Quality:

98%min ^*data from raw suppliers

3-[(tert-Butoxycarbonyl)amino]-3-[4-(methylsulfanyl)phenyl]propanoic acid >95% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)SC