structure of Phenyl-pyrrolidin-1-yl-acetic acid

Phenyl-pyrrolidin-1-yl-acetic acid

CAS No.: 100390-48-5
M. Wt: 205.25300
M. Fa: C12H15NO2
InChI Key: HYOZIYFGQLGJFY-UHFFFAOYSA-N
Appearance: off-white powder

Names and Identifiers of Phenyl-pyrrolidin-1-yl-acetic acid

CAS Number

100390-48-5

EC Number

675-215-1

MDL Number

MFCD05237231

IUPAC Name

2-phenyl-2-pyrrolidin-1-ylacetic acid

InChI

InChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)

InChIKey

HYOZIYFGQLGJFY-UHFFFAOYSA-N

Canonical SMILES

C1CCN(C1)C(C2=CC=CC=C2)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of Phenyl-pyrrolidin-1-yl-acetic acid

Exact Mass

205.11000

LogP

1.84600

Molecular Formula

C12H15NO2

Molecular Weight

205.25300

PSA

40.54000

Safety Information of Phenyl-pyrrolidin-1-yl-acetic acid

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of Phenyl-pyrrolidin-1-yl-acetic acid

Phenyl-pyrrolidin-1-yl-acetic acid has several applications:

  • Pharmaceutical Development: Its potential neuroactive properties make it a candidate for developing treatments for mental health disorders.
  • Biochemical Research: The compound is used in proteomics and other biochemical studies due to its ability to interact with proteins and enzymes.
  • Chemical Intermediates: It serves as an intermediate in synthesizing more complex organic molecules in medicinal chemistry.

Interaction Studies of Phenyl-pyrrolidin-1-yl-acetic acid

Interaction studies involving phenyl-pyrrolidin-1-yl-acetic acid have highlighted its potential as a modulator of various receptors and enzymes. These studies often focus on:

  • Receptor Binding Assays: Evaluating how the compound interacts with neurotransmitter receptors.
  • Enzyme Inhibition Studies: Investigating its effects on specific enzymes involved in metabolic pathways.

These interactions provide insights into the compound's mechanism of action and potential therapeutic uses.

Biological Activity of Phenyl-pyrrolidin-1-yl-acetic acid

Phenyl-pyrrolidin-1-yl-acetic acid exhibits notable biological activity, particularly in neuropharmacology. It has been investigated for its potential effects on neurotransmitter systems, which could make it relevant in treating conditions such as anxiety and depression. Specific studies have indicated that it may modulate dopaminergic and serotonergic pathways, contributing to its psychoactive properties.

Physical sample testing spectrum (NMR) of Phenyl-pyrrolidin-1-yl-acetic acid

Physical sample testing spectrum (NMR) of Phenyl-pyrrolidin-1-yl-acetic acid

Retrosynthesis analysis of Phenyl-pyrrolidin-1-yl-acetic acid

  • Route#1

    Cas:110-52-1
    Cas:875-74-1
    Cas:100390-48-5
  • Route#2

    Cas:123-75-1
    Cas:98-80-6
    Cas:100390-48-5
  • Route#3

    Cas:123-75-1
    Cas:298-12-4
    Cas:98-80-6
    Cas:100390-48-5