Molecular Details
DICL_CP_0307810
- (2R)-2-(methylamino)butanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307810
PubChem CID
Molecular Formula
C5H9NO4 Molecular Weight
147.13 g/mol
Synonyms/Alias
[N-methyl-D-aspartic acid; NMDA; 6384-92-5; N-Methylaspartate; N-Methyl-D-aspartate; D-Aspartic acid; N-methyl-; Methyl aspartic acid; (R)-2-(Methylamino)succinic acid; n-methyl-d-aspartic acid (nmda)...
InChI Key
HOKKHZGPKSLGJE-GSVOUGTGSA-N
InChI
InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
IUPAC Name
(2R)-2-(methylamino)butanedioic acid
CAS Number
997-55-7
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
2.1607 0.6063 -0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -0.2244 0.3566 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0268 -0.575...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit NR1/NR2D
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 8300 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV mV
Temperature
23 °C
Test Method
Patch-clamping
Test Species
Not specified
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
-0.8663
Complexity
32.7363
TPSA (Ų)
86.63
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0