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500770-77-4 | (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid
CAS No: 500770-77-4 Catalog No: AG003CN0 MDL No:MFCD03427925
Product Description
Catalog Number:
AG003CN0
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid
CAS Number:
500770-77-4
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
MDL Number:
MFCD03427925
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(8-12(20)21)9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChI Key:
DYZRXQICSTZZKP-NSHDSACASA-N
SMILES:
OC(=O)C[C@@H](c1ccccc1C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
333.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.307g/mol
Monoisotopic Mass:
333.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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