2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid

C11H16O3S — CID 10376489

IUPAC2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid
SMILESCc1cc(C(O)(C(=O)O)C(C)C)c(C)s1
InChIInChI=1S/C11H16O3S/c1-6(2)11(14,10(12)13)9-5-7(3)15-8(9)4/h5-6,14H,1-4H3,(H,12,13)
InChIKeyUZAMYEMNZJONDT-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.29
Rot. Bonds3

About 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid

2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid (PubChem CID 10376489) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid
PubChem CID10376489
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid
SMILESCc1cc(C(O)(C(=O)O)C(C)C)c(C)s1
InChIInChI=1S/C11H16O3S/c1-6(2)11(14,10(12)13)9-5-7(3)15-8(9)4/h5-6,14H,1-4H3,(H,12,13)
InChIKeyUZAMYEMNZJONDT-UHFFFAOYSA-N
XLogP2.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic 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-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid (CID 10376489) is 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid is Cc1cc(C(O)(C(=O)O)C(C)C)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid?
The InChIKey is UZAMYEMNZJONDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-6(2)11(14,10(12)13)9-5-7(3)15-8(9)4/h5-6,14H,1-4H3,(H,12,13).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid?
2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid has a molecular weight of 228.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-2-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 10376489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).