2-((tert-Butoxycarbonyl)amino)-2-(1-(trifluoromethyl)cyclopropyl)acetic acid

Base Information

• Chemical Name: 2-((tert-Butoxycarbonyl)amino)-2-(1-(trifluoromethyl)cyclopropyl)acetic acid
• CAS No.: 1098188-08-9
• Molecular Formula: C11H16F3NO4
• Molecular Weight: 283.24
• European Community (EC) Number: 877-645-7
• DSSTox Substance ID: DTXSID40705325
• Mol file: 1098188-08-9.mol

Synonyms:1098188-08-9;N-Boc-2-(1-trifluoromethylcyclopropyl)-DL-glycine;2-((tert-Butoxycarbonyl)amino)-2-(1-(trifluoromethyl)cyclopropyl)acetic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-(trifluoromethyl)cyclopropyl]acetic acid;2-((tert-Butoxycarbonyl)amino)-2-(1-(trifluoromethyl)cyclopropyl)aceticacid;2-{[(tert-butoxy)carbonyl]amino}-2-[1-(trifluoromethyl)cyclopropyl]acetic acid;SCHEMBL2377966;DTXSID40705325;SHCPATAWOPVBQH-UHFFFAOYSA-N;YTB18808;MFCD11053529;tert-butoxycarbonylamino-(1-trifluoromethyl-cyclopropyl)-acetic acid;AS-36296;CS-0171874;EN300-250446;A921849;[(tert-Butoxycarbonyl)amino][1-(trifluoromethyl)cyclopropyl]acetic acid

Chemical Property of 2-((tert-Butoxycarbonyl)amino)-2-(1-(trifluoromethyl)cyclopropyl)acetic acid

Chemical Property:

• PKA: 3.97±0.10(Predicted)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 283.10314248
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-2-(1-trifluoromethylcyclopropyl)-DL-glycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C(=O)O)C1(CC1)C(F)(F)F