CAS 1228557-04-7

(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,5-difluorobenzenepropanoic acid

Description:

The chemical substance known as (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,5-difluorobenzenepropanoic acid, with the CAS number 1228557-04-7, is characterized by its complex molecular structure, which includes a propanoic acid backbone, a difluorobenzene moiety, and a dimethylethoxycarbonyl group. This compound is likely to exhibit properties typical of amino acids and derivatives, such as the ability to form hydrogen bonds due to the presence of both carboxylic acid and amine functional groups. The difluorobenzene substituents may influence its electronic properties and reactivity, potentially enhancing lipophilicity and altering its interaction with biological systems. The stereochemistry indicated by the (βR) designation suggests that the compound has specific spatial arrangements that could affect its biological activity and pharmacokinetics. Overall, this substance may be of interest in medicinal chemistry and drug development, particularly in the design of compounds with targeted biological effects.

Formula: C₁₄H₁₇F₂NO₄

InChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)9-6-8(15)4-5-10(9)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1

InChI key: InChIKey=MOKZOKPRVYNNRE-LLVKDONJSA-N

SMILES: [C@@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=C(F)C=CC(F)=C1

Synonyms:

• (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,5-difluorobenzenepropanoic acid
• Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,5-difluoro-, (βR)-