Cas no 1212127-10-0 (cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid)

Technical Introduction: cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid is a chiral cyclopentane derivative featuring both a Boc-protected amino group and a carboxylic acid functionality. Its rigid cyclopentane backbone and stereochemical configuration make it a valuable intermediate in organic synthesis, particularly for peptidomimetics and constrained peptide analogs. The Boc group ensures compatibility with standard deprotection conditions, while the carboxylic acid moiety allows for further derivatization. The cis-configuration and methyl substitution enhance steric control in reactions, aiding in the synthesis of enantiomerically pure compounds. This compound is suited for applications in medicinal chemistry and asymmetric synthesis, where precise stereochemistry and functional group versatility are critical.
cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid structure
1212127-10-0 structure
Product Name:cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid
CAS No:1212127-10-0
MF:C12H21NO4
MW:243.29944396019
MDL:MFCD05863640
CID:1216550
PubChem ID:91758015
Update Time:2025-06-28

cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic Acid
    • 1932600-63-9
    • rel-(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}-2-methylcyclopentane-1-carboxylic acid
    • MFCD05863640
    • 1212127-10-0
    • (1S,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
    • (1S,2R)-2-((tert-Butoxycarbonyl)amino)-2-methylcyclopentane-1-carboxylic acid
    • cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic acid
    • (1S,2R)-2-{[(tert-butoxy)carbonyl]amino}-2-methylcyclopentane-1-carboxylic acid
    • SCHEMBL3052729
    • cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid
    • MDL: MFCD05863640
    • Inchi: 1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(4)7-5-6-8(12)9(14)15/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)/t8-,12-/m1/s1
    • InChI Key: GKDUYHIMOWUHAF-PRHODGIISA-N
    • SMILES: OC([C@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 243.14705815g/mol
  • Monoisotopic Mass: 243.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 321
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 75.6?2

cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid Pricemore >>

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Additional information on cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid

Introduction to cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid (CAS No. 1212127-10-0)

cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid, identified by the CAS number 1212127-10-0, is a compound of significant interest in the fields of organic chemistry and pharmaceutical research. This compound is characterized by its unique structure, which includes a cyclopentane ring substituted with a tert-butoxycarbonylamino group and a methyl group in the cis configuration. The presence of these functional groups makes it a versatile molecule with potential applications in drug design and material science.

Recent studies have highlighted the importance of stereochemistry in determining the biological activity of compounds like cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid. Researchers have found that the cis configuration plays a critical role in molecular recognition and binding affinity, making it a promising candidate for developing enantioselective drugs. The tert-butoxycarbonyl (Boc) group, a common protecting group in peptide synthesis, adds another layer of functionality, enabling precise control over reactivity during chemical transformations.

The synthesis of cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid involves a multi-step process that combines principles from stereochemistry and organocatalysis. One notable approach reported in recent literature utilizes asymmetric induction techniques to achieve high enantiomeric excess (ee) during the formation of the chiral center. This method not only enhances the efficiency of the synthesis but also aligns with green chemistry principles by minimizing waste and reducing energy consumption.

In terms of applications, cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid has shown potential in the development of novel therapeutic agents. Its structure resembles certain bioactive molecules, suggesting that it could serve as a lead compound for drug discovery programs targeting specific enzymes or receptors. Additionally, its stability under various reaction conditions makes it suitable for use in combinatorial chemistry libraries, facilitating high-throughput screening for new drug candidates.

Recent advancements in computational chemistry have further expanded our understanding of this compound's properties. Molecular docking studies have revealed that its cyclopentane ring provides an ideal scaffold for interactions with protein targets, while the Boc group enhances solubility and bioavailability. These insights are particularly valuable for researchers aiming to optimize drug delivery systems and improve therapeutic outcomes.

Furthermore, the integration of machine learning algorithms into chemical research has enabled predictive modeling of cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid's behavior under different physiological conditions. By analyzing large datasets, scientists can now predict its pharmacokinetic profile with greater accuracy, streamlining the drug development process and reducing costs associated with trial-and-error methods.

In conclusion, cis-2-tert-Butoxycarbonylamino-2-methyl-cyclopentanecarboxylic Acid (CAS No. 1212127-10-0) stands out as a valuable compound in contemporary chemical research. Its unique structure, combined with advancements in synthetic and computational techniques, positions it as a key player in the development of innovative pharmaceuticals and materials. As research continues to uncover new applications and optimize its properties, this compound is poised to make significant contributions to various scientific disciplines.

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