4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid

C10H12O3S — CID 6497071

IUPAC4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid
SMILESCCc1ccc(C(=O)CCC(=O)O)s1
InChIInChI=1S/C10H12O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKeyCQZPZVGEZHGESA-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.36
Rot. Bonds5

About 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid

4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid (PubChem CID 6497071) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid
PubChem CID6497071
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid
SMILESCCc1ccc(C(=O)CCC(=O)O)s1
InChIInChI=1S/C10H12O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKeyCQZPZVGEZHGESA-UHFFFAOYSA-N
XLogP2.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tiaprofenic Acid
CID 5468
4-(2-Thienyl)Butyric Acid
CID 78386
3-(2-Thenoyl)propionic acid
CID 78385
5-Acetylthiophene-2-carboxylic acid
CID 3742727
5-Ethylthiophene-2-carboxylic acid
CID 588192
4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid
CID 483754
2-(5-Benzoylthiophen-2-yl)acetic acid
CID 3751763
2-(5-Acetylthiophen-2-yl)acetic acid
CID 16767441
2-Thiopheneglyoxylic acid
CID 77694
5-(2-Thienyl)valeric acid
CID 152324
5-Oxo-5-(2-thienyl)valeric acid
CID 255155
1-(5-Methyl-2-thienyl)-1-propanone
CID 580407

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid (CID 6497071) is 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid is CCc1ccc(C(=O)CCC(=O)O)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid?
The InChIKey is CQZPZVGEZHGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3,5H,2,4,6H2,1H3,(H,12,13).
What are the key properties of 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid?
4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid has a molecular weight of 212.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid is sourced from PubChem (CID 6497071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).