3-(4-oxocyclohexyl)pentanoic acid

C11H18O3 — CID 152652607

IUPAC3-(4-oxocyclohexyl)pentanoic acid
SMILESCCC(CC(=O)O)C1CCC(=O)CC1
InChIInChI=1S/C11H18O3/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZHWCXASYUDMPMP-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.25
Rot. Bonds4

About 3-(4-oxocyclohexyl)pentanoic acid

3-(4-oxocyclohexyl)pentanoic acid (PubChem CID 152652607) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(4-oxocyclohexyl)pentanoic acid.

Molecular Properties

Compound Name3-(4-oxocyclohexyl)pentanoic acid
PubChem CID152652607
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(4-oxocyclohexyl)pentanoic acid
SMILESCCC(CC(=O)O)C1CCC(=O)CC1
InChIInChI=1S/C11H18O3/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZHWCXASYUDMPMP-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 3-(4-oxocyclohexyl)pentanoic 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

(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
CID 95732457
4-(1-aminopropyl)cyclohexan-1-one
CID 116941905
ethyl 2-(4-oxocyclohexyl)butanoate
CID 121318109
3-cyclopropyl-4-(4-methylphenyl)butanoic acid
CID 82079304
1,3-dicyclohexylpentan-1-one
CID 145376724
4-amino-3-cyclopentylbutanoic acid
CID 10130168
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
pentan-3-ylcyclopropane
CID 19042038
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
4-(1-hydroxy-2-methylsulfanylethyl)cyclohexan-1-one
CID 58562746
(3R)-4-methyl-3-(3-oxocyclohexyl)pentanoic acid
CID 54072750
phenyl (3S)-3-cyclohexylpentanoate
CID 157293682

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocyclohexyl)pentanoic acid?
The IUPAC name of 3-(4-oxocyclohexyl)pentanoic acid (CID 152652607) is 3-(4-oxocyclohexyl)pentanoic acid.
What is the SMILES notation for 3-(4-oxocyclohexyl)pentanoic acid?
The canonical SMILES for 3-(4-oxocyclohexyl)pentanoic acid is CCC(CC(=O)O)C1CCC(=O)CC1.
What is the InChIKey of 3-(4-oxocyclohexyl)pentanoic acid?
The InChIKey is ZHWCXASYUDMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-oxocyclohexyl)pentanoic acid?
3-(4-oxocyclohexyl)pentanoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocyclohexyl)pentanoic acid is sourced from PubChem (CID 152652607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).