Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03810"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(3r)-3-Methyl-L-Glutamic Acid"
|
| 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
Dicarboxylic Acids and Derivatives
Polyols
Enolates
Carboxylic Acids
Polyamines
Monoalkylamines
dicarboxylic acid derivative
polyol
enolate
polyamine
carboxylic acid
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-3.3
ALOGPS
logS
-0.63
ALOGPS
Water Solubility
3.81e+01 g/l
ALOGPS
logP
-2.9
ChemAxon
IUPAC Name
(2R,3S)-2-amino-3-methylpentanedioic acid
ChemAxon
Traditional IUPAC Name
(2R,3S)-2-amino-3-methylpentanedioic acid
ChemAxon
Molecular Weight
161.1558
ChemAxon
Monoisotopic Weight
161.068807845
ChemAxon
SMILES
C[C@@H](CC(O)=O)[C@@H](N)C(O)=O
ChemAxon
Molecular Formula
C6H11NO4
ChemAxon
InChI
InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m0/s1
ChemAxon
InChIKey
InChIKey=FHJNAFIJPFGZRI-WVZVXSGGSA-N
ChemAxon
Polar Surface Area (PSA)
100.62
ChemAxon
Refractivity
35.76
ChemAxon
Polarizability
14.98
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
2.02
ChemAxon
pKa (strongest basic)
9.6
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
6604760
PubChem Substance
46506110
PDB
LME
"
|
| 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