3-thiophen-2-ylpropanoic acid

C7H8O2S — CID 703169

IUPAC3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CCc1cccs1
InChIInChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
InChIKeyMJPVYTKZYZPIQA-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.77
Rot. Bonds3

About 3-thiophen-2-ylpropanoic acid

3-thiophen-2-ylpropanoic acid (PubChem CID 703169) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-thiophen-2-ylpropanoic acid
PubChem CID703169
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CCc1cccs1
InChIInChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
InChIKeyMJPVYTKZYZPIQA-UHFFFAOYSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-thiophen-2-ylpropanoic acid (CID 703169) is 3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-thiophen-2-ylpropanoic acid is O=C(O)CCc1cccs1.
What is the InChIKey of 3-thiophen-2-ylpropanoic acid?
The InChIKey is MJPVYTKZYZPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9).
What are the key properties of 3-thiophen-2-ylpropanoic acid?
3-thiophen-2-ylpropanoic acid has a molecular weight of 156.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 703169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).