4-(3-ethylcyclopentyl)-4-oxobutanoic acid

C11H18O3 — CID 66338074

IUPAC4-(3-ethylcyclopentyl)-4-oxobutanoic acid
SMILESCCC1CCC(C(=O)CCC(=O)O)C1
InChIInChI=1S/C11H18O3/c1-2-8-3-4-9(7-8)10(12)5-6-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyVBVPBEKWZQIPDW-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.25
Rot. Bonds5

About 4-(3-ethylcyclopentyl)-4-oxobutanoic acid

4-(3-ethylcyclopentyl)-4-oxobutanoic acid (PubChem CID 66338074) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(3-ethylcyclopentyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-ethylcyclopentyl)-4-oxobutanoic acid
PubChem CID66338074
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(3-ethylcyclopentyl)-4-oxobutanoic acid
SMILESCCC1CCC(C(=O)CCC(=O)O)C1
InChIInChI=1S/C11H18O3/c1-2-8-3-4-9(7-8)10(12)5-6-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyVBVPBEKWZQIPDW-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-ethylcyclopentyl)-4-oxobutanoic 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

1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
1-(3-ethylcyclopentyl)tridecan-1-one
CID 65406595
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
4-cyclopentyl-4-oxobutanoic acid
CID 10630985
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
1-(3-ethylcyclopentyl)-2-methylprop-2-en-1-one
CID 79190153
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclopentyl)-4-oxobutanoic acid?
The IUPAC name of 4-(3-ethylcyclopentyl)-4-oxobutanoic acid (CID 66338074) is 4-(3-ethylcyclopentyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-ethylcyclopentyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-ethylcyclopentyl)-4-oxobutanoic acid is CCC1CCC(C(=O)CCC(=O)O)C1.
What is the InChIKey of 4-(3-ethylcyclopentyl)-4-oxobutanoic acid?
The InChIKey is VBVPBEKWZQIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-8-3-4-9(7-8)10(12)5-6-11(13)14/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-(3-ethylcyclopentyl)-4-oxobutanoic acid?
4-(3-ethylcyclopentyl)-4-oxobutanoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclopentyl)-4-oxobutanoic acid is sourced from PubChem (CID 66338074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).