General Information of the Compound
Compound ID
CP0554904
Compound Name
(1S,2S)-2-((S)-1-Amino-1-carboxy-ethyl)-cyclopropanecarboxylic acid
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Synonyms
MCCG
MCCG-I
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Structure
Formula
C7H11NO4
Molecular Weight
173.168
Canonical SMILES
C[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
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InChI
InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4-,7-/m0/s1
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InChIKey
KFACHLANPCGTFI-FVSJBQLASA-N
Physicochemical Property
logP
-0.4909
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
100.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 5311457
SID: 16118256
ChEMBL ID
CHEMBL41013
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 77000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MCCG )
Drug Name MCCG
Target(s)
Metabotropic glutamate receptor 7 (mGluR7)
Antagonist