Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04383"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| drugbank:description |
"
2026-48-4
experimental
This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
1,2-Aminoalcohols
Organic Compounds
Organonitrogen Compounds
Amines
Alkanolamines
Primary Alcohols
Polyamines
Monoalkylamines
polyamine
primary alcohol
primary amine
primary aliphatic amine
alcohol
(S)-(+)-2-Amino-3-methyl-1-butanol
(S)-2-Amino-3-methylbutanol
2-Amino-3-methyl-1-butanol
2-amino-3-methylbutan-1-ol
logP
-0.3
ALOGPS
logS
0.44
ALOGPS
Water Solubility
2.86e+02 g/l
ALOGPS
logP
-0.011
ChemAxon
IUPAC Name
(2S)-2-amino-3-methylbutan-1-ol
ChemAxon
Traditional IUPAC Name
L-valinol
ChemAxon
Molecular Weight
103.1628
ChemAxon
Monoisotopic Weight
103.099714043
ChemAxon
SMILES
CC(C)[C@H](N)CO
ChemAxon
Molecular Formula
C5H13NO
ChemAxon
InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
ChemAxon
InChIKey
InChIKey=NWYYWIJOWOLJNR-RXMQYKEDSA-N
ChemAxon
Polar Surface Area (PSA)
46.25
ChemAxon
Refractivity
29.63
ChemAxon
Polarizability
12.24
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
15.12
ChemAxon
pKa (strongest basic)
9.9
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
640993
PubChem Substance
46508380
BindingDB
18160
PDB
VOL
"
|
| rdfs:label |
"L-Valinol"
|
| 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