CAS 78987-79-8

N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-β-alanine ethyl ester

Description:

N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-β-alanine ethyl ester, with the CAS number 78987-79-8, is a chemical compound that belongs to the class of amino acid derivatives. This substance features a β-alanine backbone, which is an amino acid known for its role in various biological processes. The presence of a methoxy group and a ketone functionality contributes to its unique reactivity and potential applications in organic synthesis. The ethyl ester moiety enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The phenylmethyl group adds steric bulk and may affect the compound's interaction with biological targets. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. However, specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise evaluation.

Formula: C₁₇H₂₅NO₄

InChI: InChI=1S/C17H25NO4/c1-4-22-16(19)10-11-18(12-14(2)17(20)21-3)13-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3

InChI key: InChIKey=LRJQXEYJXMMPOA-UHFFFAOYSA-N

SMILES: N(CC1=CC=CC=C1)(CC(C(OC)=O)C)CCC(OCC)=O

Synonyms:

• 279-031-9
• N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-β-alanine ethyl ester
• NSC 76575
• β-Alanine, N-(3-methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-, ethyl ester