CAS 1217776-08-3

4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (2R)-, compd. with N-cyclohexylcyclohexanamine (1:1)

Description:

4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (2R)-, compd. with N-cyclohexylcyclohexanamine is a complex organic compound characterized by its unique structural features, including a pentenoic acid backbone and an amine component. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it has protective or modifying functionalities, which can influence its reactivity and solubility. The compound exhibits both acidic and basic properties due to the carboxylic acid and amine functional groups, respectively, allowing for potential interactions in various chemical environments. Its stereochemistry, indicated by the (2R) designation, implies specific spatial arrangements that can affect its biological activity and interactions. The 1:1 complexation with N-cyclohexylcyclohexanamine suggests a potential for forming stable adducts, which may enhance its pharmacological properties. Overall, this compound may be of interest in medicinal chemistry and materials science due to its potential applications in drug development and synthesis.

Formula: C₁₂H₂₃N·C₁₁H₁₉NO₄

InChI: InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;8H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t;8-/m.1/s1

InChI key: InChIKey=ZRIOKRZSXPPREV-NIFFTEIASA-N

SMILES: [C@@H](NC(OC(C)(C)C)=O)(CC(C)=C)C(O)=O.N(C1CCCCC1)C2CCCCC2

Synonyms:

• 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (2R)-, compd. with N-cyclohexylcyclohexanamine (1:1)