General Information of the Compound
Compound ID
CP0091883
Compound Name
(1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-1,2-dicarboxylic acid
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Synonyms
(1R,2R)-3-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1,2-dicarboxylic acid
(1r,2r)-3-[(S)-Amino(Carboxy)methyl]cyclopropane-1,2-Dicarboxylic Acid
(2S,2''R,3''R)-2-(2'',3'')-dicarboxycyclopropylglycine
(2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine
1,2-Cyclopropanedicarboxylicacid, 3-[(S)-aminocarboxymethyl]-, (1R,2R)-
147782-19-2
AC1NSJRH
AKOS030230932
API0015797
B5039
BDBM50034503
CHEMBL284193
CS-0021174
CTK0H7426
DCG IV
DCGIV
Dcg-IV
GTPL1377
MATPZHBYOVDBLI-JJYYJPOSSA-N
SCHEMBL658075
ZINC3995770
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Structure
Formula
C7H9NO6
Molecular Weight
203.15
Canonical SMILES
N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
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InChI
InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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InChIKey
MATPZHBYOVDBLI-JJYYJPOSSA-N
Physicochemical Property
logP
-1.5703
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
137.92
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 5310979
SID: 15220055
ChEMBL ID
CHEMBL284193
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 77000 nM
   TI
   LI
   LO
   TS
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
EC50 = 45 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 350 nM
Clinical Information about the Compound
Drug 1 ( DCG IV )
Drug Name DCG IV
Target(s)
Metabotropic glutamate receptor 2 (mGluR2)
Agonist