3-(carboxymethoxy)thiophene-2-carboxylic acid

C7H6O5S — CID 15588112

IUPAC3-(carboxymethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)COc1ccsc1C(=O)O
InChIInChI=1S/C7H6O5S/c8-5(9)3-12-4-1-2-13-6(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKeyGQZDJWFZCLPOLB-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.91
Rot. Bonds4

About 3-(carboxymethoxy)thiophene-2-carboxylic acid

3-(carboxymethoxy)thiophene-2-carboxylic acid (PubChem CID 15588112) has the molecular formula C7H6O5S and a molecular weight of 202.19 g/mol. Its IUPAC name is 3-(carboxymethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)thiophene-2-carboxylic acid
PubChem CID15588112
Molecular FormulaC7H6O5S
Molecular Weight202.19 g/mol
Exact Mass201.99
IUPAC Name3-(carboxymethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)COc1ccsc1C(=O)O
InChIInChI=1S/C7H6O5S/c8-5(9)3-12-4-1-2-13-6(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKeyGQZDJWFZCLPOLB-UHFFFAOYSA-N
XLogP0.91
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)thiophene-2-carboxylic acid (CID 15588112) is 3-(carboxymethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)thiophene-2-carboxylic acid is O=C(O)COc1ccsc1C(=O)O.
What is the InChIKey of 3-(carboxymethoxy)thiophene-2-carboxylic acid?
The InChIKey is GQZDJWFZCLPOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5S/c8-5(9)3-12-4-1-2-13-6(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11).
What are the key properties of 3-(carboxymethoxy)thiophene-2-carboxylic acid?
3-(carboxymethoxy)thiophene-2-carboxylic acid has a molecular weight of 202.19 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 15588112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).