General Information of the Compound
Compound ID
CP0871656
Compound Name
Trans-1-Amino-2-carboxymethyl-cyclopropanecarboxylic acid
    Show/Hide
Structure
Formula
C6H9NO4
Molecular Weight
159.141
Canonical SMILES
N[C@@]1(C(=O)O)C[C@H]1CC(=O)O
    Show/Hide
InChI
InChI=1S/C6H9NO4/c7-6(5(10)11)2-3(6)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1
    Show/Hide
InChIKey
HMHPAFJEDLYRGO-CVYQJGLWSA-N
Physicochemical Property
logP
-0.7369
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
100.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
11

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11768848
SID: 16877361
ChEMBL ID
CHEMBL3347671
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 10471.29 nM
   TI
   LI
   LO
   TS