Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04291"
| Predicate | Value (sorted: none) |
|---|---|
| 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
Phenols and Derivatives
Polyols
Polyamines
Enols
Carboxylic Acids
Enolates
Monoalkylamines
phenol derivative
polyol
carboxylic acid derivative
polyamine
carboxylic acid
enol
enolate
primary amine
primary aliphatic amine
amine
organonitrogen compound
logP
-2.4
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
7.44e+00 g/l
ALOGPS
logP
-1.8
ChemAxon
IUPAC Name
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid
ChemAxon
Traditional IUPAC Name
4-hydroxyphenylglycine
ChemAxon
Molecular Weight
167.162
ChemAxon
Monoisotopic Weight
167.058243159
ChemAxon
SMILES
N[C@H](C(O)=O)C1=CC=C(O)C=C1
ChemAxon
Molecular Formula
C8H9NO3
ChemAxon
InChI
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
ChemAxon
InChIKey
InChIKey=LJCWONGJFPCTTL-ZETCQYMHSA-N
ChemAxon
Polar Surface Area (PSA)
83.55
ChemAxon
Refractivity
42.34
ChemAxon
Polarizability
16.18
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.74
ChemAxon
pKa (strongest basic)
8.75
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
36143
PubChem Substance
46508228
PDB
D4P
"
|
| rdfs:label |
"(2s)-Amino(4-Hydroxyphenyl)Acetic Acid"
|
| 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