3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid

C8H8O5S — CID 23646660

IUPAC3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1OCC(=O)O
InChIInChI=1S/C8H8O5S/c1-4-3-14-7(8(11)12)6(4)13-2-5(9)10/h3H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyKOOIWSPHIOEAHD-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.22
Rot. Bonds4

About 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid

3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid (PubChem CID 23646660) has the molecular formula C8H8O5S and a molecular weight of 216.21 g/mol. Its IUPAC name is 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid
PubChem CID23646660
Molecular FormulaC8H8O5S
Molecular Weight216.21 g/mol
Exact Mass216.01
IUPAC Name3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1OCC(=O)O
InChIInChI=1S/C8H8O5S/c1-4-3-14-7(8(11)12)6(4)13-2-5(9)10/h3H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyKOOIWSPHIOEAHD-UHFFFAOYSA-N
XLogP1.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid (CID 23646660) is 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1OCC(=O)O.
What is the InChIKey of 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid?
The InChIKey is KOOIWSPHIOEAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5S/c1-4-3-14-7(8(11)12)6(4)13-2-5(9)10/h3H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid?
3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid has a molecular weight of 216.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 23646660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).