structure of 2-Cyclopropyl-2-hydroxypropanoic acid

2-Cyclopropyl-2-hydroxypropanoic acid

CAS No.: 99848-37-0
M. Wt: 130.14
M. Fa: C6H10O3
InChI Key: RSLBTTSLQYKDLV-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2-Cyclopropyl-2-hydroxypropanoic acid

CAS Number

99848-37-0

EC Number

836-315-2

IUPAC Name

2-cyclopropyl-2-hydroxypropanoic acid

InChI

InChI=1S/C6H10O3/c1-6(9,5(7)8)4-2-3-4/h4,9H,2-3H2,1H3,(H,7,8)

InChIKey

RSLBTTSLQYKDLV-UHFFFAOYSA-N

Canonical SMILES

CC(C1CC1)(C(=O)O)O

Physical and chemical properties of 2-Cyclopropyl-2-hydroxypropanoic acid

Acidity coefficient

4.03±0.22(Predicted)

Boiling Point

278.4±13.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

130.062988

Flash Point

136.4±16.3 °C

Index of Refraction

1.554

LogP

0.02

Melting Point

68-70 °C

Molecular Formula

C6H10O3

Molecular Weight

130.14

Storage condition

Store at room temperature

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of 2-Cyclopropyl-2-hydroxypropanoic acid

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 2-Cyclopropyl-2-hydroxypropanoic acid

2-Cyclopropyl-2-hydroxypropanoic acid has potential applications in various fields:

  • Pharmaceuticals: As a precursor or intermediate in the synthesis of bioactive compounds, it may contribute to drug development targeting specific enzymes or metabolic pathways.
  • Agricultural Chemistry: Its derivatives could be explored for use as agrochemicals, particularly in developing herbicides or fungicides due to their biological activity.
  • Material Science: The unique properties of cyclopropane derivatives make them candidates for developing novel materials with specific mechanical or thermal properties.

Interaction Studies of 2-Cyclopropyl-2-hydroxypropanoic acid

Interaction studies have demonstrated that 2-cyclopropyl-2-hydroxypropanoic acid can engage with various biological macromolecules. These interactions are primarily mediated through hydrogen bonding and hydrophobic interactions due to its functional groups. The compound's ability to inhibit enzyme activity suggests that it may interact with active sites or allosteric sites on target proteins, influencing their function and potentially leading to therapeutic effects.

Biological Activity of 2-Cyclopropyl-2-hydroxypropanoic acid

Research indicates that 2-cyclopropyl-2-hydroxypropanoic acid exhibits significant biological activity, particularly as an inhibitor of certain enzymes. For instance, studies have shown that derivatives of this compound can act as potent inhibitors of enzymes involved in metabolic pathways, potentially offering therapeutic benefits in treating metabolic disorders or diseases linked to enzyme dysfunctions. Furthermore, its structural similarity to other biologically active compounds suggests possible interactions with various biological targets.

Physical sample testing spectrum (NMR) of 2-Cyclopropyl-2-hydroxypropanoic acid

Physical sample testing spectrum (NMR) of 2-Cyclopropyl-2-hydroxypropanoic acid

Retrosynthesis analysis of 2-Cyclopropyl-2-hydroxypropanoic acid

  • Route#1

    Cas:1567-75-5
    Cas:99848-37-0