General Information of the Compound
Compound ID
CP0537612
Compound Name
1-methylcyclopropane-1-carboxylic acid
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Synonyms
1-Carboxy-1-methylcyclopropane
1-Methyl-cyclopropanecarboxylic acid
1-Methylcyclopropane-1-carboxylic acid
1-Methylcyclopropanecarboxylic acid
1-Methylcyclopropanecarboxylic acid, 98%
1-methylcyclopropanecarboxylic acid
1-methylcyclopropanoic acid
6914-76-7
AC1Q2CXA
AC1Q5TAN
ACMC-209o6g
CTK2F4732
Cyclopropanecarboxylic acid, 1-methyl-
Cyclopropanecarboxylicacid, 1-methyl-
DIZKLZKLNKQFGB-UHFFFAOYSA-
DIZKLZKLNKQFGB-UHFFFAOYSA-N
DTXSID50219201
EINECS 230-020-7
GTPL6500
Methyl-cyclopropanecarboxylic acid
PubChem16037
SCHEMBL113962
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Structure
Formula
C5H8O2
Molecular Weight
100.117
Canonical SMILES
CC1(CC1)C(O)=O
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InChI
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
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InChIKey
DIZKLZKLNKQFGB-UHFFFAOYSA-N
CAS
6914-76-7
Physicochemical Property
logP
0.8711
Rotatable Bonds
1
Heavy Atom Count
7
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
7

"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: 81326
ChEMBL ID
CHEMBL4516837
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: PT03133, Free fatty acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
EC50 = 22387.21 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-methylcyclopropanecarboxylic acid )
Drug Name 1-methylcyclopropanecarboxylic acid
Target(s)
Free fatty acid receptor 2 (FFAR2)
Agonist
Free fatty acid receptor 3 (FFAR3)
Agonist