CAS 102636-83-9

(2R)-3-Carboxy-2-[(5-carboxy-1-oxopentyl)oxy]-N,N,N-trimethyl-1-propanaminium inner salt

Description:

(2R)-3-Carboxy-2-[(5-carboxy-1-oxopentyl)oxy]-N,N,N-trimethyl-1-propanaminium inner salt, with CAS number 102636-83-9, is a quaternary ammonium compound characterized by its cationic nature due to the presence of a trimethylammonium group. This compound features multiple carboxylic acid functional groups, which contribute to its hydrophilicity and potential for forming salts. The presence of an inner salt indicates that it exists in a zwitterionic form, balancing positive and negative charges within the molecule. Its structure includes a propanaminium backbone, which enhances its solubility in polar solvents. The compound may exhibit biological activity, potentially serving as a surfactant or in drug delivery applications due to its ability to interact with biological membranes. Additionally, the presence of the pentyl chain suggests that it may have amphiphilic properties, allowing it to interact with both hydrophilic and hydrophobic environments. Overall, this compound's unique structural features make it of interest in various fields, including medicinal chemistry and materials science.

Formula: C₁₃H₂₁NO₅

InChI: InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)/t10-/m1/s1

InChI key: InChIKey=BSVHAXJKBCWVDA-SNVBAGLBSA-N

SMILES: [C@H](OC(CCCCC(O)=O)=O)(C[N+](C)(C)C)CC([O-])=O

Synonyms:

• (2R)-3-Carboxy-2-[(5-carboxy-1-oxopentyl)oxy]-N,N,N-trimethyl-1-propanaminium inner salt
• 1-Propanaminium, 3-carboxy-2-[(5-carboxy-1-oxopentyl)oxy]-N,N,N-trimethyl-, inner salt, (2R)-
• 1-Propanaminium, 3-carboxy-2-[(5-carboxy-1-oxopentyl)oxy]-N,N,N-trimethyl-, inner salt, (R)-
• Adipoyl-L-carnitine

Adipoyl-L-carnitine Trifluoroacetate (>90%)

Controlled Product

CAS: 102636-83-9

Formula: C₁₃H₂₃NO₆·C₂HF₃O₂

Color and Shape: Neat

Molecular weight: 403.34

Ref: TR-A291705