2-methyl-2-(5-methylthiophen-2-yl)propanoic acid

C9H12O2S — CID 23032468

IUPAC2-methyl-2-(5-methylthiophen-2-yl)propanoic acid
SMILESCc1ccc(C(C)(C)C(=O)O)s1
InChIInChI=1S/C9H12O2S/c1-6-4-5-7(12-6)9(2,3)8(10)11/h4-5H,1-3H3,(H,10,11)
InChIKeyCDMPCDFLUCDAND-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid

2-methyl-2-(5-methylthiophen-2-yl)propanoic acid (PubChem CID 23032468) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-methylthiophen-2-yl)propanoic acid
PubChem CID23032468
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-methyl-2-(5-methylthiophen-2-yl)propanoic acid
SMILESCc1ccc(C(C)(C)C(=O)O)s1
InChIInChI=1S/C9H12O2S/c1-6-4-5-7(12-6)9(2,3)8(10)11/h4-5H,1-3H3,(H,10,11)
InChIKeyCDMPCDFLUCDAND-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(5-methylthiophen-2-yl)propanoic 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-2-(5-methylthiophen-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid (CID 23032468) is 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid is Cc1ccc(C(C)(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid?
The InChIKey is CDMPCDFLUCDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6-4-5-7(12-6)9(2,3)8(10)11/h4-5H,1-3H3,(H,10,11).
What are the key properties of 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid?
2-methyl-2-(5-methylthiophen-2-yl)propanoic acid has a molecular weight of 184.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 23032468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).