CAS 1182723-69-8

1-Pyrrolidinecarboxylic acid, 3-[(2-methoxy-2-oxoethyl)[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, N-cyclohexylcyclohexanamine (1:1), (3R)-

Description:

1-Pyrrolidinecarboxylic acid, 3-[(2-methoxy-2-oxoethyl)[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, N-cyclohexylcyclohexanamine (1:1), (3R)- is a complex organic compound characterized by its multi-functional structure, which includes a pyrrolidine ring, a carboxylic acid moiety, and various ester and amine groups. This compound exhibits properties typical of both amines and carboxylic acids, potentially allowing for hydrogen bonding and interactions with biological systems. Its phenyl and methoxy substituents contribute to its lipophilicity, which may influence its solubility and permeability in biological membranes. The presence of stereocenters indicates that it may exist in multiple stereoisomeric forms, which can significantly affect its biological activity and pharmacokinetics. The compound's CAS number, 1182723-69-8, allows for precise identification in chemical databases. Overall, this substance may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural complexity and potential biological interactions.

Formula: C₂₃H₂₆N₂O₆·C₁₂H₂₃N

InChI: InChI=1S/C23H26N2O6.C12H23N/c1-29-21(26)15-25(23(28)31-17-19-10-6-3-7-11-19)20-12-13-24(14-20)22(27)30-16-18-8-4-2-5-9-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-11,20H,12-17H2,1H3;11-13H,1-10H2/t20-;/m1./s1

InChI key: InChIKey=YHXIREMYTASKKR-VEIFNGETSA-N

SMILES: N(C(OCC1=CC=CC=C1)=O)(CC(OC)=O)[C@H]2CN(C(OCC3=CC=CC=C3)=O)CC2.N(C1CCCCC1)C2CCCCC2

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 3-[(2-methoxy-2-oxoethyl)[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, N-cyclohexylcyclohexanamine (1:1), (3R)-