General Information of the Compound
Compound ID
CP0075552
Compound Name
CH3-CH2-COOH
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Synonyms
1979/9/4
Acide propioniqu
Acide propionique
Antischim B
C3 acid
Carboxyethane
Carboxylic acids, C1-5
Caswell No. 707
Ethanecarboxylic acid
Kyselina propionova
Luprosil
Metacetonic acid
Methyl acetic acid
Monoprop
Propanoic Acid
Propanoic acid
Propcorn
Propioic acid
Propionic acid (natural)
Propionic acid grain preserver
Propionoic acid
Propionsaeure
Propkorn
Prozoin
Pseudoacetic acid
Sentry grain preserver
Tenox P grain preservative
acide propanoique
ethylformic acid
methylacetic acid
propionic acid
propoic acid
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Structure
Formula
C3H6O2
Molecular Weight
74.079
Canonical SMILES
CCC(O)=O
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InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
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InChIKey
XBDQKXXYIPTUBI-UHFFFAOYSA-N
CAS
68990-37-4
79-09-4
3349-08-4
68937-68-8
784139-72-6
Physicochemical Property
logP
0.481
Rotatable Bonds
1
Heavy Atom Count
5
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
5

"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: 1032
SID: 15194153
ChEMBL ID
CHEMBL14021
DrugBank ID
DB03766
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 10715.19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 11748.98 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Propanoic Acid )
Drug Name Propanoic Acid