Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03184"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"5-Amino-3-Methyl-Pyrrolidine-2-Carboxylic 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
Pyrrolidine Carboxylic Acids
Enolates
Aminals
Polyamines
Carboxylic Acids
Dialkylamines
Monoalkylamines
pyrrolidine carboxylic acid or derivative
pyrrolidine carboxylic acid
pyrrolidine
secondary amine
carboxylic acid
polyamine
secondary aliphatic amine
enolate
aminal
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-2.9
ALOGPS
logS
0.13
ALOGPS
Water Solubility
1.93e+02 g/l
ALOGPS
logP
-2.8
ChemAxon
IUPAC Name
(2S,3S,5S)-5-amino-3-methylpyrrolidine-2-carboxylic acid
ChemAxon
Traditional IUPAC Name
(2S,3S,5S)-5-amino-3-methylpyrrolidine-2-carboxylic acid
ChemAxon
Molecular Weight
144.1717
ChemAxon
Monoisotopic Weight
144.089877638
ChemAxon
SMILES
C[C@H]1C[C@@H](N)N[C@@H]1C(O)=O
ChemAxon
Molecular Formula
C6H12N2O2
ChemAxon
InChI
InChI=1S/C6H12N2O2/c1-3-2-4(7)8-5(3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1
ChemAxon
InChIKey
InChIKey=ZELPFFKOULVLMW-YUPRTTJUSA-N
ChemAxon
Polar Surface Area (PSA)
75.35
ChemAxon
Refractivity
35.33
ChemAxon
Polarizability
14.74
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
3.13
ChemAxon
pKa (strongest basic)
8.62
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936596
PubChem Substance
46506103
PDB
X7O
"
|
| 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