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CS-W001157 4
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1-[(Tert-butoxy)carbonyl]-3-methylpyrrolidine-3-carboxylic acid

  • CAS No. 887587-09-9

  • Cat. No. CS-0035471
  • Purity≥97%
  • MDL No.None

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

1-[(Tert-butoxy)carbonyl]-3-methylpyrrolidine-3-carboxylic acid|CS-0035471

Structure of 887587-09-9

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General Information

  • CAS No. 887587-09-9
  • Cat. No. CS-0035471
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉NO₄
  • Molecular Weight 229.27
  • Synonym(s) 1-(Tert-butoxycarbonyl)-3-methylpyrrolidine-3-carboxylic acid
  • SMILES CC(C)(C)OC(=O)N1CCC(C)(C1)C(=O)O

Description

This protected pyrrolidine derivative features a tert-butoxycarbonyl group that enables stable, orthogonal functionalization in peptide synthesis. The methylpyrrolidine core provides conformational rigidity, while the carboxylic acid moiety facilitates direct coupling under standard conditions. Ideal for constructing constrained peptidomimetics and bioactive scaffolds with enhanced metabolic stability.

Application

1-[(Tert-butoxy)carbonyl]-3-methylpyrrolidine-3-carboxylic acid serves as a versatile, bench-stable building block for the synthesis of pyrrolidine-based scaffolds in medicinal chemistry. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, while the tertiary amine and carboxylic acid functionalities offer orthogonal reactivity for peptide coupling and functionalization. Its structural rigidity and defined stereochemistry facilitate precise incorporation into bioactive molecules, making it a reliable component in API development workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   1.7181
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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