CAS 1060813-59-3

4-[(1,1-Dimethylethoxy)carbonyl]-2-(1-methylethyl)-1-piperazineacetic acid

Description:

4-[(1,1-Dimethylethoxy)carbonyl]-2-(1-methylethyl)-1-piperazineacetic acid, with the CAS number 1060813-59-3, is a chemical compound characterized by its piperazine core, which is a six-membered heterocyclic amine. This compound features a carboxylic acid functional group, contributing to its acidic properties, and an ethoxycarbonyl group that enhances its lipophilicity and stability. The presence of the isopropyl group (1-methylethyl) indicates that it may exhibit steric hindrance, potentially influencing its reactivity and interaction with biological targets. The dimethylethoxy substituent suggests that the compound may have applications in medicinal chemistry, possibly as a pharmaceutical intermediate or active ingredient. Its structural complexity may also imply specific solubility characteristics, affecting its bioavailability and pharmacokinetics. Overall, this compound's unique functional groups and structural features make it a subject of interest in chemical research and development, particularly in the context of drug design and synthesis.

Formula: C₁₄H₂₆N₂O₄

InChI: InChI=1S/C14H26N2O4/c1-10(2)11-8-16(13(19)20-14(3,4)5)7-6-15(11)9-12(17)18/h10-11H,6-9H2,1-5H3,(H,17,18)

InChI key: InChIKey=PERFHBUDLMLREX-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C(C(C)C)CN(C(OC(C)(C)C)=O)CC1

Synonyms:

• 4-[(1,1-Dimethylethoxy)carbonyl]-2-(1-methylethyl)-1-piperazineacetic acid
• 1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-2-(1-methylethyl)-