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CS-W001157 4
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2-(3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentan-1-yl)acetic acid

  • CAS No. 2096992-27-5

  • Cat. No. CS-W000141
  • Purity≥98%
  • MDL No.None

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

2-(3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentan-1-yl)acetic acid|CS-W000141

Structure of 2096992-27-5

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General Information

  • CAS No. 2096992-27-5
  • Cat. No. CS-W000141
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₄
  • Molecular Weight 241.28
  • Synonym(s) 2-(3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentan-1-yl)acetic acid
  • SMILES CC(C)(C)OC(=O)NC12CC(CC(O)=O)(C1)C2

Description

This bicyclic scaffold features a protected amino group and a pendant acetic acid, enabling direct conjugation or further functionalization. The tert-butyl carbamate moiety provides stability during synthesis, while the rigid cage structure imparts conformational restraint ideal for peptide mimetics and bioactive molecule design under standard conditions.

Application

This compound serves as a versatile building block for peptide and peptidomimetic synthesis, leveraging the rigid bicyclo[1.1.1]pentane scaffold to enhance metabolic stability and conformational control. The tert-butoxycarbonyl (Boc) group provides reliable protection of the amine, enabling orthogonal deprotection in standard synthetic workflows. The pendant acetic acid functionality facilitates conjugation via amide bond formation, while the overall structure exhibits excellent bench stability and compatibility with diverse reaction conditions.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   1.9085
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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