3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid

CAS Registry Number®

876294-66-5

CAS Name

3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid

Molecular Formula

C12H17NO4

Molecular Mass

239.27

Cite this Page

3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=876294-66-5 (retrieved 2024-10-05) (CAS RN: 876294-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17NO4/c1-4-17-12(16)10-7-8(2)13(9(10)3)6-5-11(14)15/h7H,4-6H2,1-3H3,(H,14,15)

InChIKey

InChIKey=ZMEURRCNVLHWSR-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=C(C)N(CCC(O)=O)C(C)=C1

Canonical SMILES

O=C(OCC)C=1C=C(N(C1C)CCC(=O)O)C

Other Names for this Substance

  • 1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-2,5-dimethyl-
  • 3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid