2-methyl-3-thiophen-2-ylpropanoic acid

C8H10O2S — CID 6484224

IUPAC2-methyl-3-thiophen-2-ylpropanoic acid
SMILESCC(Cc1cccs1)C(=O)O
InChIInChI=1S/C8H10O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)
InChIKeyYAUVRHSZEQIRJG-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-3-thiophen-2-ylpropanoic acid

2-methyl-3-thiophen-2-ylpropanoic acid (PubChem CID 6484224) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-methyl-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-thiophen-2-ylpropanoic acid
PubChem CID6484224
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-methyl-3-thiophen-2-ylpropanoic acid
SMILESCC(Cc1cccs1)C(=O)O
InChIInChI=1S/C8H10O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)
InChIKeyYAUVRHSZEQIRJG-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-thiophen-2-ylpropanoic 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 2-methyl-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-methyl-3-thiophen-2-ylpropanoic acid (CID 6484224) is 2-methyl-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-methyl-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-methyl-3-thiophen-2-ylpropanoic acid is CC(Cc1cccs1)C(=O)O.
What is the InChIKey of 2-methyl-3-thiophen-2-ylpropanoic acid?
The InChIKey is YAUVRHSZEQIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10).
What are the key properties of 2-methyl-3-thiophen-2-ylpropanoic acid?
2-methyl-3-thiophen-2-ylpropanoic acid has a molecular weight of 170.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 6484224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).