Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03720"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"Z-Dehydrobutyrine"
|
| 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
Amino Fatty Acids
Enones
Enolates
Enamines
Carboxylic Acids
Polyamines
enone
enolate
enamine
carboxylic acid
polyamine
amine
organonitrogen compound
logP
0.26
ALOGPS
logS
0.27
ALOGPS
Water Solubility
1.88e+02 g/l
ALOGPS
logP
-2.5
ChemAxon
IUPAC Name
(2Z)-2-aminobut-2-enoic acid
ChemAxon
Traditional IUPAC Name
Z-dehydrobutyrine
ChemAxon
Molecular Weight
101.1039
ChemAxon
Monoisotopic Weight
101.047678473
ChemAxon
SMILES
C\C=C(/N)C(O)=O
ChemAxon
Molecular Formula
C4H7NO2
ChemAxon
InChI
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
ChemAxon
InChIKey
InChIKey=PAWSVPVNIXFKOS-IHWYPQMZSA-N
ChemAxon
Polar Surface Area (PSA)
63.32
ChemAxon
Refractivity
26.59
ChemAxon
Polarizability
9.75
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.88
ChemAxon
pKa (strongest basic)
8.46
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
6449989
PubChem Substance
46507827
PDB
DBU
"
|
| 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