(2S)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
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![(2S)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/448733d1698f4b37ab741ffdb20c1807.png "(2S)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid")
(2S)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
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CAS No:
1955474-48-2
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Formula:
C13H12F3NO3
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Chemical Name:
(2S)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
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Synonyms:
ZINC19229858;EN300-87482;(2S)-3-Phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]propanoic acid;1955474-48-2
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CAS No:
(2S)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid Basic Attributes
287.23 g/mol
287.07692773 g/mol
Computed Properties
Molecular Weight:287.23
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:287.07692773
Monoisotopic Mass:287.07692773
Topological Polar Surface Area:66.4
Heavy Atom Count:20
Complexity:374
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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