General Information of the Compound
Compound ID
CP0411194
Compound Name
(2S,4R)-4-(4-acetyl-2-carboxyphenoxy)pyrrolidine-2-carboxylic acid
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Structure
Formula
C14H15NO6
Molecular Weight
293.275
Canonical SMILES
CC(=O)c1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
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InChI
InChI=1S/C14H15NO6/c1-7(16)8-2-3-12(10(4-8)13(17)18)21-9-5-11(14(19)20)15-6-9/h2-4,9,11,15H,5-6H2,1H3,(H,17,18)(H,19,20)/t9-,11+/m1/s1
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InChIKey
KAZFDFAPKWRBAV-KOLCDFICSA-N
Physicochemical Property
logP
0.7813
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
112.93
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 90480171
ChEMBL ID
CHEMBL4090961
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01414, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS