Molecular Details
DICL_CP_0307902
- (2S)-2-aminopentanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307902
PubChem CID
Molecular Formula
C5H9NO4 Molecular Weight
147.13 g/mol
Synonyms/Alias
[L-glutamic acid; GLUTAMIC ACID; 56-86-0; (2S)-2-Aminopentanedioic acid; L-glutamate; (S)-2-Aminopentanedioic acid; Glutamidex; H-Glu-OH; Glutaminol; glutacid; Glutamicol; Glutaton; Aciglut; L-Glutami...
InChI Key
WHUUTDBJXJRKMK-VKHMYHEASA-N
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
IUPAC Name
(2S)-2-aminopentanedioic acid
CAS Number
59-30-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 18 0 0 0 0 0 0 0 0999 V2000
0.0766 -0.0177 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 0.0450 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5235 0.286...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 2
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 282 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Sf9 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
4
logP
-0.7369
Complexity
32.481
TPSA (Ų)
100.62
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0