2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid

Name: 2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
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CAS No. 1363210-41-6
Cat. No. CS-0052104
Purity≥98%
MDL No.None

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2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid|CS-0052104

Structure of 1363210-41-6

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General Information

CAS No. 1363210-41-6
Cat. No. CS-0052104
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₉NO₄
Molecular Weight 241.28
Synonym(s) 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
SMILES CC(C)(C)OC(=O)N1CC2CC1CC2C(O)=O

Description

This bicyclic scaffold features a protected azabicyclo[2.2.1]heptane core with a tert-butyloxycarbonyl group at the 2-position and a carboxylic acid at the 5-position, enabling direct incorporation into peptide synthesis and medicinal chemistry campaigns.

Application

2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid serves as a robust, bench-stable building block for the synthesis of constrained azabicyclic scaffolds. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, while the carboxylic acid functionality supports efficient coupling reactions. Its rigid bicyclic core provides defined stereochemistry and conformational restraint, facilitating use in medicinal chemistry campaigns targeting G-protein-coupled receptors and other structurally sensitive biological targets.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 66.84
LogP 1.7165
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid

CAS No. 1363210-41-6

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