Molecular Details
DICL_CP_0308255
- (2S,4R)-pyrrolidine-2,4-dicarboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308255
PubChem CID
Molecular Formula
C6H9NO4 Molecular Weight
159.141 g/mol
Synonyms/Alias
[trans-4-Carboxy-L-proline; 64769-66-0; (2S,4R)-Pyrrolidine-2,4-dicarboxylic acid; L-trans-Pyrrolidine-2,4-dicarboxylic acid; t-PDC; L-trans-2,4-PDC; (2S-trans)-2,4-Pyrrolidinedicarboxylic Acid; (2S,4...
InChI Key
NRSBQSJHFYZIPH-DMTCNVIQSA-N
InChI
InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1
IUPAC Name
(2S,4R)-pyrrolidine-2,4-dicarboxylic acid
CAS Number
64769-66-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
11 11 0 0 0 0 0 0 0 0999 V2000
-0.0000 -0.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2135 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit NMDA 2C
Uniprot Accession Number
Function
Potentiator
Species
Homo sapiens (Human)
IC50
IC50: <100000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
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
BHK-21 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
schizophrenia, Parkinsons disease, cognitive disorders, depression, neuropathic pain, stroke, traumatic brain injury, epilepsy, and related neurologic events or neurodegeneration
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US10273214
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
2
logP
-0.8663
Complexity
35.1693
TPSA (Ų)
86.63
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
1