Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01635"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"2,2-Dimethylthiazolidine-4-Carboxylic Acid;(Dmt)Thiazolidine"
|
| ns1: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
Thiazolidines
Hemiaminals
Thioethers
Polyamines
Enolates
Dialkylamines
Carboxylic Acids
Aminals
thiazolidine
hemiaminal
secondary amine
secondary aliphatic amine
carboxylic acid
enolate
aminal
polyamine
thioether
amine
organonitrogen compound
logP
-1.3
ALOGPS
logS
-0.7
ALOGPS
Water Solubility
3.19e+01 g/l
ALOGPS
logP
-2
ChemAxon
IUPAC Name
(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
ChemAxon
Traditional IUPAC Name
(dmt)thiazolidine
ChemAxon
Molecular Weight
161.222
ChemAxon
Monoisotopic Weight
161.051049291
ChemAxon
SMILES
CC1(C)N[C@@H](CS1)C(O)=O
ChemAxon
Molecular Formula
C6H11NO2S
ChemAxon
InChI
InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
ChemAxon
InChIKey
InChIKey=OCQICQZUUHJWGZ-BYPYZUCNSA-N
ChemAxon
Polar Surface Area (PSA)
49.33
ChemAxon
Refractivity
40.5
ChemAxon
Polarizability
15.9
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.97
ChemAxon
pKa (strongest basic)
7.75
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
676443
PubChem Substance
46505762
ChemSpider
371536
PDB
2MT
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object