CAS 15959-93-0 | Butanoic acid, 2-amino-4,4,4-trifluoro- | CAS Number 15959-93-0

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15959-93-0 | Butanoic acid, 2-amino-4,4,4-trifluoro-

CAS No: 15959-93-0 Catalog No: AG001R77 MDL No:MFCD00041417

Product Description

Catalog Number:

AG001R77

Chemical Name:

Butanoic acid, 2-amino-4,4,4-trifluoro-

CAS Number:

15959-93-0

Molecular Formula:

C4H6F3NO2

Molecular Weight:

157.0911

MDL Number:

MFCD00041417

IUPAC Name:

2-amino-4,4,4-trifluorobutanoic acid

InChI:

InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)

InChI Key:

AQPCXCOPDSEKQT-UHFFFAOYSA-N

SMILES:

NC(C(=O)O)CC(F)(F)F

NSC Number:

600193

Properties

Complexity:

133

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.092g/mol

Monoisotopic Mass:

157.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.9

Literature

Title	Journal
Effect of highly fluorinated amino acids on protein stability at a solvent-exposed position on an internal strand of protein G B1 domain.	Journal of the American Chemical Society 20090923
An expanded set of amino acid analogs for the ribosomal translation of unnatural peptides.	PloS one 20070101
Asymmetric synthesis of both enantiomers of anti-4,4,4-trifluorothreonine and 2-amino-4,4,4-trifluorobutanoic acid.	The Journal of organic chemistry 20030919