structure of (2e)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid

(2e)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid

CAS No.: 1000932-52-4
M. Wt: 231.25
M. Fa: C13H13NO3
InChI Key: FFXXWFKUBVGRPU-FPYGCLRLSA-N

Names and Identifiers of 1000932-52-4

CAS Number

1000932-52-4

MDL Number

MFCD09863377

IUPAC Name

(2E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid

InChI

InChI=1S/C13H13NO3/c15-12(16)8-3-9-1-4-10(5-2-9)13(17)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,17)(H,15,16)/b8-3+

InChIKey

FFXXWFKUBVGRPU-FPYGCLRLSA-N

Canonical SMILES

O=C(O)/C=C/C1=CC=C(C(=O)NC2CC2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000932-52-4

Acidity coefficient

-95.54±0.10(Predicted)

Boiling Point

484.1±28.0 °C(Predicted)

Density

1.29±0.1 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

2

LogP

1.67596715666667

Molecular Formula

C13H13NO3

Molecular Weight

231.25

Safety Information of 1000932-52-4

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of 1000932-52-4

Studies on the interactions of 3-[4-(Cyclopropylcarbamoyl)phenyl]prop-2-enoic acid with biological targets are ongoing. Its unique structural features may allow it to bind effectively to specific enzymes or receptors, influencing various metabolic pathways. Understanding these interactions could lead to advancements in drug development and therapeutic applications.

Biological Activity of 1000932-52-4

Research indicates that 3-[4-(Cyclopropylcarbamoyl)phenyl]prop-2-enoic acid exhibits potential biological activities. It is being investigated for its anti-inflammatory and anticancer properties. The cyclopropylcarbamoyl group may enhance its binding affinity to specific molecular targets, allowing it to interact with enzymes or receptors involved in various biochemical pathways.