4-cyclopentyl-4-oxobutanoic acid

C9H14O3 — CID 10630985

IUPAC4-cyclopentyl-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)C1CCCC1
InChIInChI=1S/C9H14O3/c10-8(5-6-9(11)12)7-3-1-2-4-7/h7H,1-6H2,(H,11,12)
InChIKeyLOVFEGLWBFHQLB-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.61
Rot. Bonds4

About 4-cyclopentyl-4-oxobutanoic acid

4-cyclopentyl-4-oxobutanoic acid (PubChem CID 10630985) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-cyclopentyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-cyclopentyl-4-oxobutanoic acid
PubChem CID10630985
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-cyclopentyl-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)C1CCCC1
InChIInChI=1S/C9H14O3/c10-8(5-6-9(11)12)7-3-1-2-4-7/h7H,1-6H2,(H,11,12)
InChIKeyLOVFEGLWBFHQLB-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-sulfanylpropan-1-one
CID 116830831
7-cyclopropyl-7-oxoheptanoic acid
CID 24726981
1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
1-cycloheptylbutan-1-one
CID 54353743
carbanide;cyclopentane;bis(4-cyclopentyl-1,3-dithiol-2-one);4-cyclopentyl-4-oxobutanoic acid;bis(iron(2+))
CID 162297247
methyl 4-cyclooctyl-4-oxobutanoate
CID 155214467
4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
CID 138966505
1-cycloheptylpent-4-yn-1-one
CID 65398839
CID 140659203
CID 140659203
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
butanedioic acid;cyclobutane
CID 157277656
1-cyclobutyl-3-sulfanylpropan-1-one
CID 89053234

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-oxobutanoic acid?
The IUPAC name of 4-cyclopentyl-4-oxobutanoic acid (CID 10630985) is 4-cyclopentyl-4-oxobutanoic acid.
What is the SMILES notation for 4-cyclopentyl-4-oxobutanoic acid?
The canonical SMILES for 4-cyclopentyl-4-oxobutanoic acid is O=C(O)CCC(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-4-oxobutanoic acid?
The InChIKey is LOVFEGLWBFHQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(5-6-9(11)12)7-3-1-2-4-7/h7H,1-6H2,(H,11,12).
What are the key properties of 4-cyclopentyl-4-oxobutanoic acid?
4-cyclopentyl-4-oxobutanoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-oxobutanoic acid is sourced from PubChem (CID 10630985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).