Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04228"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2r)-Amino(3,5-Dihydroxyphenyl)Acetic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.
Phenylacetic Acid Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Phenylacetic Acid Derivatives
Alpha Amino Acids and Derivatives
Resorcinols
Polyols
Polyamines
Carboxylic Acids
Enolates
Enols
Monoalkylamines
resorcinol
phenol derivative
polyol
carboxylic acid derivative
polyamine
carboxylic acid
enol
enolate
amine
primary aliphatic amine
primary amine
organonitrogen compound
logP
-2.4
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
8.09e+00 g/l
ALOGPS
logP
-2.1
ChemAxon
IUPAC Name
(2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid
ChemAxon
Traditional IUPAC Name
(S)-amino(3,5-dihydroxyphenyl)acetic acid
ChemAxon
Molecular Weight
183.1614
ChemAxon
Monoisotopic Weight
183.053157781
ChemAxon
SMILES
N[C@H](C(O)=O)C1=CC(O)=CC(O)=C1
ChemAxon
Molecular Formula
C8H9NO4
ChemAxon
InChI
InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
ChemAxon
InChIKey
InChIKey=HOOWCUZPEFNHDT-ZETCQYMHSA-N
ChemAxon
Polar Surface Area (PSA)
103.78
ChemAxon
Refractivity
44.32
ChemAxon
Polarizability
17.11
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.37
ChemAxon
pKa (strongest basic)
8.07
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
443586
PubChem Substance
46504565
PDB
D3P
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object