Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04486"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(2s)-2,8-Diaminooctanoic Acid"
|
| 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
Enolates
Polyamines
Carboxylic Acids
Monoalkylamines
carboxylic acid
enolate
polyamine
primary amine
amine
primary aliphatic amine
organonitrogen compound
logP
-2.3
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
1.10e+01 g/l
ALOGPS
logP
-2.3
ChemAxon
IUPAC Name
(2S)-2,8-diaminooctanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2,8-diaminooctanoic acid
ChemAxon
Molecular Weight
174.2407
ChemAxon
Monoisotopic Weight
174.13682783
ChemAxon
SMILES
NCCCCCC[C@H](N)C(O)=O
ChemAxon
Molecular Formula
C8H18N2O2
ChemAxon
InChI
InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1
ChemAxon
InChIKey
InChIKey=KMPBBRFCAYFTMR-ZETCQYMHSA-N
ChemAxon
Polar Surface Area (PSA)
89.34
ChemAxon
Refractivity
47.01
ChemAxon
Polarizability
20.19
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
2.84
ChemAxon
pKa (strongest basic)
10.29
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936985
PubChem Substance
46507117
PDB
HHK
"
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| rdf:type | |
| 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