structure of 3-(1h-Pyrrol-1-yl)-3-(thiophen-3-yl)propanoic acid

3-(1h-Pyrrol-1-yl)-3-(thiophen-3-yl)propanoic acid

CAS No.: 866019-33-2
M. Wt: 221.275
M. Fa: C11H11NO2S
InChI Key: DUPNBMRWTIBTOA-UHFFFAOYSA-N

Names and Identifiers of 866019-33-2

CAS Number

866019-33-2

MDL Number

MFCD03787346

IUPAC Name

3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanoic acid

InChI

InChI=1S/C11H11NO2S/c13-11(14)7-10(9-3-6-15-8-9)12-4-1-2-5-12/h1-6,8,10H,7H2,(H,13,14)

InChIKey

DUPNBMRWTIBTOA-UHFFFAOYSA-N

Canonical SMILES

O=C(O)CC(C1=CSC=C1)N1C=CC=C1

UNSPSC Code

12352100

Physical and chemical properties of 866019-33-2

Boiling Point

380.0±32.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

221.051056

Flash Point

183.6±25.1 °C

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.633

LogP

2.07

Molecular Formula

C11H11NO2S

Molecular Weight

221.275

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 866019-33-2

Pictograms

Signal Word

 Warning

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

Applications of 866019-33-2

The unique structure of 3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanoic acid allows for diverse applications:

  • Pharmaceuticals: Its potential biological activities make it a candidate for drug development.
  • Material Science: The compound may be used in the synthesis of organic semiconductors or polymers due to its electronic properties.
  • Agricultural Chemicals: Its antimicrobial properties could be explored for agricultural applications as a pesticide or herbicide.

Interaction Studies of 866019-33-2

Interaction studies involving 3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanoic acid often focus on its binding affinity with various biological targets. Research indicates that:

  • It may interact with specific enzymes or receptors involved in inflammation and cancer pathways.
  • Studies using molecular docking simulations have suggested potential binding sites that could be targeted for therapeutic interventions.

Biological Activity of 866019-33-2

Research indicates that compounds containing pyrrole and thiophene rings exhibit various biological activities, including:

  • Antimicrobial properties: Some derivatives have shown effectiveness against bacterial strains.
  • Anti-inflammatory effects: These compounds may modulate inflammatory pathways, making them candidates for therapeutic applications.
  • Cytotoxicity: Certain studies suggest potential anti-cancer properties, although more research is needed to confirm these effects.