Molecular Details
DICL_CP_0309107
- (2R)-2-amino-2-(3-hydroxyphenyl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309107
PubChem CID
Molecular Formula
C8H9NO3 Molecular Weight
167.164 g/mol
Synonyms/Alias
[25698-27-5; (R)-4-Hydroxyphenylglycine; (R)-2-(3-HYDROXYPHENYL)GLYCINE; (2R)-2-amino-2-(3-hydroxyphenyl)acetic acid; (R)-2-AMINO-2-(3-HYDROXYPHENYL)ACETIC ACID; (R)-AMINO-(3-HYDROXY-PHENYL)-ACETIC AC...
InChI Key
DQLYTFPAEVJTFM-SSDOTTSWSA-N
InChI
InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1
IUPAC Name
(2R)-2-amino-2-(3-hydroxyphenyl)acetic acid
CAS Number
1404-90-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 21 0 0 0 0 0 0 0 0999 V2000
1.9422 -1.3784 -0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5582 -1.4490 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1128 -0.466...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >1000000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
0 °C
Test Method
Binding assay
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
12
Rotatable Bonds
2
logP
0.4766
Complexity
42.671
TPSA (Ų)
83.55
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
1