Home Carbonyls 2-((tert-butoxycarbonyl)amino)-3-(4-(trifluoromethoxy)phenyl)propanoic acid

2-((tert-butoxycarbonyl)amino)-3-(4-(trifluoromethoxy)phenyl)propanoic acid

CAS No.:
1654772-46-9
Catalog Number:
AG01DFNF
Molecular Formula:
C15H18F3NO5
Molecular Weight:
349.3023
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Product Description
Catalog Number:
AG01DFNF
Chemical Name:
2-((tert-butoxycarbonyl)amino)-3-(4-(trifluoromethoxy)phenyl)propanoic acid
CAS Number:
1654772-46-9
Molecular Formula:
C15H18F3NO5
Molecular Weight:
349.3023
MDL Number:
MFCD07186269
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
InChI:
InChI=1S/C15H18F3NO5/c1-14(2,3)24-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)23-15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)
InChI Key:
CRGWDQAJLMVWNI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.114g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
349.306g/mol
Monoisotopic Mass:
349.114g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties