Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03794"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Trifluoroalanine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Polyamines
Carboxylic Acids
Enolates
Monoalkylamines
Organofluorides
Alkyl Fluorides
polyamine
enolate
carboxylic acid
organonitrogen compound
amine
primary amine
organofluoride
organohalogen
primary aliphatic amine
alkyl halide
alkyl fluoride
logP
-1
ALOGPS
logS
-0.91
ALOGPS
Water Solubility
1.76e+01 g/l
ALOGPS
logP
-1.7
ChemAxon
IUPAC Name
(2R)-2-amino-3,3,3-trifluoropropanoic acid
ChemAxon
Traditional IUPAC Name
trifluoroalanine
ChemAxon
Molecular Weight
143.0646
ChemAxon
Monoisotopic Weight
143.019412992
ChemAxon
SMILES
N[C@H](C(O)=O)C(F)(F)F
ChemAxon
Molecular Formula
C3H4F3NO2
ChemAxon
InChI
InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m1/s1
ChemAxon
InChIKey
InChIKey=HMJQKIDUCWWIBW-PVQJCKRUSA-N
ChemAxon
Polar Surface Area (PSA)
63.32
ChemAxon
Refractivity
21.2
ChemAxon
Polarizability
8.84
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.02
ChemAxon
pKa (strongest basic)
4.73
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
87122
PubChem Substance
46504500
PDB
FLA
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object