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CS-W001157 4
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1,3-Dimethylpyrrolidine-3-carboxylicacid

  • CAS No. 912771-28-9

  • Cat. No. CS-0172046
  • Purity≥98%
  • MDL No.None

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

1,3-Dimethylpyrrolidine-3-carboxylicacid|CS-0172046

Structure of 912771-28-9

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General Information

  • CAS No. 912771-28-9
  • Cat. No. CS-0172046
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO₂
  • Molecular Weight 143.18
  • Synonym(s) 3-diMethylpyrrolidine-3-carboxylic acid
  • SMILES CC1(CCN(C)C1)C(=O)O

Description

1,3-Dimethylpyrrolidine-3-carboxylic acid features a sterically hindered pyrrolidine core with dual methyl substitutions that enhance metabolic stability and modulate lipophilicity. This conformationally restricted scaffold integrates readily into bioactive molecules, offering improved membrane permeability and resistance to enzymatic degradation in medicinal chemistry applications.

Application

1,3-Dimethylpyrrolidine-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and peptide mimetics. Its constrained pyrrolidine core offers favorable conformational stability, while the carboxylic acid functionality facilitates direct coupling or derivatization. The N-methyl and C3-methyl groups enhance metabolic stability and lipophilicity, making it a practical scaffold for optimizing pharmacokinetic properties in drug discovery campaigns.

Synthesis

  • Route1
    • Methyl 1,3-dimethylpyrrolidine-3-carboxylate|CS-0451777
      114725-00-7
    • ~%
    • In-stock
      1,3-Dimethylpyrrolidine-3-carboxylicacid|CS-0172046
      912771-28-9

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1698626 A1, 2006 ; Location in patent: Page/Page column 128-129 ;

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   0.4128
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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