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CS-W001157 4
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Cyclobutane-1,1-dicarboxylic acid monoamide

  • CAS No. 845621-11-6

  • Cat. No. CS-0149988
  • Purity≥97%
  • MDL No.MFCD04114274

*For research and further manufacturing use only, not for direct human use.

Cyclobutane-1,1-dicarboxylic acid monoamide|CS-0149988

Structure of 845621-11-6

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General Information

  • CAS No. 845621-11-6
  • Cat. No. CS-0149988
  • Purity ≥97%
  • MDL No. MFCD04114274
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉NO₃
  • Molecular Weight 143.14
  • Synonym(s) 1-carbamoylcyclobutanecarboxylic acid
  • SMILES NC(C1(C(O)=O)CCC1)=O

Description

Cyclobutane-1,1-dicarboxylic acid monoamide features a rigid cyclobutane core with one carboxylic acid group converted to an amide, enhancing metabolic stability and solubility. This structural motif serves as a key scaffold in bioactive molecule design, offering precise spatial orientation for target engagement.

Application

Cyclobutane-1,1-dicarboxylic acid monoamide serves as a versatile scaffold for medicinal chemistry and synthetic intermediates, offering a rigid cyclobutane core with orthogonal functionalization potential. The amide group enables direct derivatization or incorporation into peptide-like systems, while the remaining carboxylic acid facilitates coupling reactions under standard conditions. Its bench-stable nature and compatibility with diverse reaction environments make it a practical building block for targeted molecular architectures.

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2005/19158 A1, 2005 ; Location in patent: Page/Page column 17-18 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   80.39
  • LogP   -0.2734
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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