General Information of the Compound
Compound ID
CP0921641
Compound Name
(1R,2R)-2-((S)-Amino-carboxy-methyl)-cyclopropanecarboxylic acid
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Structure
Formula
C6H9NO4
Molecular Weight
159.141
Canonical SMILES
N[C@H](C(=O)O)[C@@H]1C[C@H]1C(=O)O
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InChI
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4+/m1/s1
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InChIKey
GZOVEPYOCJWRFC-JJYYJPOSSA-N
Physicochemical Property
logP
-0.881
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).

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PubChem ID
CID: 13798555
SID: 152190116
ChEMBL ID
CHEMBL41659
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 < 100000 nM
   TI
   LI
   LO
   TS