2-methyl-2-thiophen-2-yloxypropanoic acid

C8H10O3S — CID 70544771

IUPAC2-methyl-2-thiophen-2-yloxypropanoic acid
SMILESCC(C)(Oc1cccs1)C(=O)O
InChIInChI=1S/C8H10O3S/c1-8(2,7(9)10)11-6-4-3-5-12-6/h3-5H,1-2H3,(H,9,10)
InChIKeyXLLOLBCMZAYNGM-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-2-thiophen-2-yloxypropanoic acid

2-methyl-2-thiophen-2-yloxypropanoic acid (PubChem CID 70544771) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-yloxypropanoic acid
PubChem CID70544771
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name2-methyl-2-thiophen-2-yloxypropanoic acid
SMILESCC(C)(Oc1cccs1)C(=O)O
InChIInChI=1S/C8H10O3S/c1-8(2,7(9)10)11-6-4-3-5-12-6/h3-5H,1-2H3,(H,9,10)
InChIKeyXLLOLBCMZAYNGM-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-thiophen-2-yloxypropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(N-hydroxy-C-thiophen-2-ylcarbonimidoyl)phenoxy]-2-methylpropanoic acid
CID 88771344
thiophen-2-yl acetate
CID 23617313
2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid
CID 66887294
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
CID 67905364
CID 67905364
2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133
acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate
CID 67582617
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
tert-butyl-dimethyl-thiophen-2-yloxysilane
CID 11053031
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509
CID 160726441
CID 160726441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-yloxypropanoic acid?
The IUPAC name of 2-methyl-2-thiophen-2-yloxypropanoic acid (CID 70544771) is 2-methyl-2-thiophen-2-yloxypropanoic acid.
What is the SMILES notation for 2-methyl-2-thiophen-2-yloxypropanoic acid?
The canonical SMILES for 2-methyl-2-thiophen-2-yloxypropanoic acid is CC(C)(Oc1cccs1)C(=O)O.
What is the InChIKey of 2-methyl-2-thiophen-2-yloxypropanoic acid?
The InChIKey is XLLOLBCMZAYNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-8(2,7(9)10)11-6-4-3-5-12-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-thiophen-2-yloxypropanoic acid?
2-methyl-2-thiophen-2-yloxypropanoic acid has a molecular weight of 186.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-yloxypropanoic acid is sourced from PubChem (CID 70544771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).