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270065-80-0 | (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid
CAS No: 270065-80-0 Catalog No: AG003OF1 MDL No:MFCD01861070
Product Description
Catalog Number:
AG003OF1
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid
CAS Number:
270065-80-0
Molecular Formula:
C16H20F3NO4
Molecular Weight:
347.3295
MDL Number:
MFCD01861070
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
InChI:
InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChI Key:
UKFKHDUXBBWVHB-LBPRGKRZSA-N
SMILES:
OC(=O)C[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.334g/mol
Monoisotopic Mass:
347.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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