structure of 3-amino-2-(4-chlorophenyl)propanoic Acid

3-amino-2-(4-chlorophenyl)propanoic Acid

CAS No.: 1001227-79-7
M. Wt: 199.634
M. Fa: C9H10ClNO2
InChI Key: NCFOMSKIIHPPCQ-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 1001227-79-7

CAS Number

1001227-79-7

IUPAC Name

3-amino-2-(4-chlorophenyl)propanoic acid

InChI

InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13)

InChIKey

NCFOMSKIIHPPCQ-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1C(CN)C(=O)O)Cl

Physical and chemical properties of 1001227-79-7

Boiling Point

344.5±32.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

199.040009

Flash Point

162.2±25.1 °C

Index of Refraction

1.588

LogP

1.54

Molecular Formula

C9H10ClNO2

Molecular Weight

199.634

Vapour Pressure

0.0±0.8 mmHg at 25°C

Applications of 1001227-79-7

(S)-3-amino-2-(4-chlorophenyl)propanoic acid has several potential applications:

  • Drug Development: Its role as an enzyme inhibitor makes it a candidate for drug development targeting neurological disorders.
  • Biochemical Research: The compound can serve as a biochemical probe in studies related to amino acid metabolism and enzyme activity.

Interaction Studies of 1001227-79-7

Studies on the interactions of (S)-3-amino-2-(4-chlorophenyl)propanoic acid indicate its ability to bind with various biological targets:

  • Enzyme Binding: Research suggests that the compound binds with acetylcholinesterase, potentially influencing neurotransmitter levels in synaptic clefts.
  • Receptor Interactions: Further studies may explore its interaction with other receptors involved in neurological signaling pathways.

Biological Activity of 1001227-79-7

Research indicates that (S)-3-amino-2-(4-chlorophenyl)propanoic acid may exhibit several biological activities:

  • Neuropharmacological Effects: The compound's inhibition of acetylcholinesterase suggests potential applications in treating neurodegenerative diseases.
  • Irritant Properties: It has been noted to possess irritant characteristics, which could influence its handling and application in research settings.