structure of Tert-butyl (2S)-2-aminopent-4-ynoate

Tert-butyl (2S)-2-aminopent-4-ynoate

CAS No.: 71460-04-3
M. Wt: 169.22100
M. Fa: C9H15NO2
InChI Key: SCWSRJDAGCBOBP-ZETCQYMHSA-N

Names and Identifiers of Tert-butyl (2S)-2-aminopent-4-ynoate

CAS Number

71460-04-3

IUPAC Name

tert-butyl (2S)-2-aminopent-4-ynoate

InChI

InChI=1S/C9H15NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h1,7H,6,10H2,2-4H3/t7-/m0/s1

InChIKey

SCWSRJDAGCBOBP-ZETCQYMHSA-N

Canonical SMILES

CC(C)(C)OC(=O)C(CC#C)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC#C)N

Physical and chemical properties of Tert-butyl (2S)-2-aminopent-4-ynoate

Exact Mass

169.11000

LogP

1.37900

Molecular Formula

C9H15NO2

Molecular Weight

169.22100

PSA

52.32000

Applications of Tert-butyl (2S)-2-aminopent-4-ynoate

Tert-butyl (2S)-2-aminopent-4-ynoate has several potential applications:

  • Medicinal Chemistry: It serves as a building block for synthesizing biologically active compounds, particularly those targeting cancer.
  • Organic Synthesis: Its functional groups make it a versatile intermediate in organic synthesis, allowing for further modifications and coupling to form complex molecules.
  • Research Tool: It can be used in studies investigating the mechanisms of action of various biological pathways due to its reactivity and structural properties.

Interaction Studies of Tert-butyl (2S)-2-aminopent-4-ynoate

Studies on the interactions of tert-butyl (2S)-2-aminopent-4-ynoate with biological systems are crucial for understanding its potential therapeutic effects. Interaction studies often focus on:

  • Enzyme Inhibition: Investigating whether this compound inhibits specific enzymes involved in metabolic pathways or cancer progression.
  • Cellular Uptake: Understanding how well this compound is absorbed by cells and its subsequent effects on cellular functions.
  • Binding Affinity: Measuring how strongly it binds to target proteins or receptors, which is critical for assessing its efficacy as a drug candidate.

Biological Activity of Tert-butyl (2S)-2-aminopent-4-ynoate

Research indicates that compounds similar to tert-butyl (2S)-2-aminopent-4-ynoate exhibit biological activities, particularly in the context of anticancer research. The structural features of this compound may enhance its interaction with biological targets, such as enzymes involved in cancer progression or metabolic pathways. Studies have shown that modifications of similar compounds can lead to improved selectivity and efficacy against cancer cells.