Cas no 102686-48-6 (Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-)

Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- structure
102686-48-6 structure
Product Name:Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
CAS No:102686-48-6
MF:C16H30N2O6
MW:346.419205188751
CID:3561369
PubChem ID:131222115
Update Time:2025-07-08

Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
    • Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI)
    • (3R)-3,6-bis({[(tert-butoxy)carbonyl]amino})hexanoicacid
    • (3r)-3,6-bis({[(tert-butoxy)carbonyl]amino})hexanoic acid
    • (3R)-3,6-Bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
    • EN300-6754326
    • 102686-48-6
    • Inchi: 1S/C16H30N2O6/c1-15(2,3)23-13(21)17-9-7-8-11(10-12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m1/s1
    • InChI Key: YFYIYQVUQNRKIP-LLVKDONJSA-N
    • SMILES: C(O)(=O)C[C@H](NC(OC(C)(C)C)=O)CCCNC(OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 346.21038668Da
  • Monoisotopic Mass: 346.21038668Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 11
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 114?2

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Additional information on Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-

Hexanoic Acid, 3,6-Bis[[(1,1-Dimethylethoxy)Carbonyl]Amino], (R)-

The compound with CAS No. 102686-48-6, commonly referred to as Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino], (R)-, is a highly specialized organic molecule with significant applications in the fields of pharmaceuticals, biotechnology, and materials science. This compound is characterized by its unique structure, which includes a hexanoic acid backbone with two substituted groups at the 3 and 6 positions. The substituents are [(1,1-dimethylethoxy)carbonyl]amino groups, which confer specific functional properties to the molecule. The (R)- designation indicates the stereochemistry at these positions, emphasizing the importance of chirality in its chemical behavior and biological activity.

Recent advancements in synthetic chemistry have enabled the precise synthesis of this compound, leveraging innovative methodologies such as stereo-selective catalysis and enzymatic transformations. These techniques not only enhance the yield and purity of the compound but also allow for fine-tuning of its stereochemical properties. The ability to control chirality is particularly crucial in pharmaceutical applications, where the spatial arrangement of molecules can significantly impact their efficacy and safety profiles.

In terms of applications, this compound has shown promise in several areas. In the realm of drug discovery, it has been explored as a potential lead compound for developing novel therapeutics targeting specific biological pathways. Its unique functional groups enable interactions with various biomolecules, making it a valuable tool in studying enzyme inhibition and receptor binding. Additionally, its role as an intermediate in more complex molecular constructions has further expanded its utility in synthetic routes for advanced pharmaceutical agents.

The integration of computational chemistry techniques has also played a pivotal role in understanding the properties of this compound. Advanced molecular modeling software allows researchers to predict its physical and chemical properties with high accuracy. For instance, studies have revealed that the compound exhibits favorable solubility characteristics and stability under physiological conditions—attributes that are essential for drug delivery systems. Furthermore, computational studies have provided insights into its potential interactions with cellular components, aiding in the design of more effective therapeutic strategies.

Another area where this compound has garnered attention is in the field of biomaterials. Its ability to form self-assembled structures under certain conditions makes it a candidate for applications in nanotechnology and drug delivery systems. Researchers have explored its potential as a building block for creating biocompatible materials that can be used in tissue engineering or as carriers for targeted drug delivery. The versatility of this molecule lies in its ability to adapt to various chemical environments while maintaining its structural integrity.

Recent research has also focused on optimizing the synthesis process of this compound to make it more environmentally friendly and cost-effective. Green chemistry principles have been incorporated into its production methods, reducing waste and energy consumption. For instance, solvent-free reaction conditions and catalytic processes have been employed to enhance sustainability without compromising product quality. These advancements underscore the commitment to developing eco-friendly chemical manufacturing practices while maintaining high standards of product performance.

In conclusion, Hexanoic acid, 3,6-bis[[(1,1-dimethylethoxy)carbonyl]amino], (R)- represents a cutting-edge molecule with diverse applications across multiple scientific disciplines. Its unique structure and functional properties make it an invaluable asset in modern research and development efforts. As ongoing studies continue to uncover new insights into its potential uses and mechanisms of action, this compound is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

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