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486460-00-8 | (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
CAS No: 486460-00-8 Catalog No: AG0038OZ MDL No:MFCD06659147
Product Description
Catalog Number:
AG0038OZ
Chemical Name:
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
CAS Number:
486460-00-8
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
MDL Number:
MFCD06659147
IUPAC Name:
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid
InChI:
InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m1/s1
InChI Key:
TUAXCHGULMWHIO-SECBINFHSA-N
SMILES:
OC(=O)C[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
427
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:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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