CAS 131436-67-4

N-(4-Pyridinylmethyl)-β-alanine ethyl ester

Description:

N-(4-Pyridinylmethyl)-β-alanine ethyl ester, with the CAS number 131436-67-4, is a chemical compound characterized by its structure, which includes a pyridine ring and an ethyl ester functional group. This compound features a β-alanine backbone, which is an amino acid known for its role in various biological processes. The presence of the pyridine moiety suggests potential applications in medicinal chemistry, as pyridine derivatives often exhibit biological activity, including antimicrobial and anti-inflammatory properties. The ethyl ester group enhances the compound's lipophilicity, potentially influencing its absorption and bioavailability. In terms of physical properties, while specific values may vary, compounds of this nature typically exhibit moderate solubility in organic solvents and may have limited solubility in water. The compound's reactivity can be attributed to the presence of both the amino and carboxyl functional groups, making it suitable for further chemical modifications. Overall, N-(4-Pyridinylmethyl)-β-alanine ethyl ester represents a versatile structure with potential applications in pharmaceuticals and biochemistry.

Formula: C₁₁H₁₆N₂O₂

InChI: InChI=1S/C11H16N2O2/c1-2-15-11(14)5-8-13-9-10-3-6-12-7-4-10/h3-4,6-7,13H,2,5,8-9H2,1H3

InChI key: InChIKey=RPIXQGXKUHONTA-UHFFFAOYSA-N

SMILES: C(NCCC(OCC)=O)C=1C=CN=CC1

Synonyms:

• β-Alanine, N-(4-pyridinylmethyl)-, ethyl ester
• N-(4-Pyridinylmethyl)-β-alanine ethyl ester