2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid

C15H20O3S — CID 114392111

IUPAC2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)C2CCCC2C(=O)O)s1
InChIInChI=1S/C15H20O3S/c1-15(2,3)12-8-7-11(19-12)13(16)9-5-4-6-10(9)14(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyZHOJNEHRWSVGPA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.73
Rot. Bonds3

About 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid

2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114392111) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114392111
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)C2CCCC2C(=O)O)s1
InChIInChI=1S/C15H20O3S/c1-15(2,3)12-8-7-11(19-12)13(16)9-5-4-6-10(9)14(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyZHOJNEHRWSVGPA-UHFFFAOYSA-N
XLogP3.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic 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

6-(5-Propionyl-2-thienyl)hexanoic acid
CID 2173301
4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid
CID 6497071
4-(5-Methylthiophen-2-yl)-4-oxobutanoic acid
CID 2517627
4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid
CID 298611
10-(5-Acetylthiophen-2-yl)decanoic acid
CID 1914729
7-[5-Methyl-2-(3-phenylpropyl)thiophen-3-yl]-7-oxoheptanoic acid
CID 15666626
Methyl 2,5-bis(1,1-dimethylethyl)-gamma-oxo-3-thiophenebutanoate
CID 770014
beta-Methyl-delta-oxo-2-thiophenepentanoic acid
CID 2759974
2-Thylhexanoic acid
CID 69343472
Methyl 2-thienoylpyruvic acid
CID 129780790
2-[5-(2,2,2-Trifluoroacetyl)thiophen-2-yl]butanoic acid
CID 67325458
4-[5-(6-Fluorohexanoyl)thiophen-2-yl]-2-methylbutanoic acid
CID 151130208

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid (CID 114392111) is 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid is CC(C)(C)c1ccc(C(=O)C2CCCC2C(=O)O)s1.
What is the InChIKey of 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZHOJNEHRWSVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c1-15(2,3)12-8-7-11(19-12)13(16)9-5-4-6-10(9)14(17)18/h7-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).