benzyl 2-(2-oxocyclobutyl)acetate

C13H14O3 — CID 58062904

IUPACbenzyl 2-(2-oxocyclobutyl)acetate
SMILESO=C(CC1CCC1=O)OCc1ccccc1
InChIInChI=1S/C13H14O3/c14-12-7-6-11(12)8-13(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyZJEUDIOIQBFYQK-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.10
Rot. Bonds4

About benzyl 2-(2-oxocyclobutyl)acetate

benzyl 2-(2-oxocyclobutyl)acetate (PubChem CID 58062904) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is benzyl 2-(2-oxocyclobutyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-oxocyclobutyl)acetate
PubChem CID58062904
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namebenzyl 2-(2-oxocyclobutyl)acetate
SMILESO=C(CC1CCC1=O)OCc1ccccc1
InChIInChI=1S/C13H14O3/c14-12-7-6-11(12)8-13(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyZJEUDIOIQBFYQK-UHFFFAOYSA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 2-(2-oxocyclobutyl)acetate 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

benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride
CID 70023874
benzyl 2-(2-oxooxolan-3-yl)acetate
CID 91271905
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
benzyl (1S)-2-oxocyclobutane-1-carboxylate
CID 66868456
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-[3-(dibenzylamino)-2-oxocyclobutyl]acetate
CID 23213418
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl 2-(2-oxo-1,3,3a,4,5,6,7,7a-octahydroindol-3-yl)acetate
CID 70455479
benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
benzyl 2-[(1S,3R)-3-acetylcyclohexyl]acetate
CID 158241246

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-oxocyclobutyl)acetate?
The IUPAC name of benzyl 2-(2-oxocyclobutyl)acetate (CID 58062904) is benzyl 2-(2-oxocyclobutyl)acetate.
What is the SMILES notation for benzyl 2-(2-oxocyclobutyl)acetate?
The canonical SMILES for benzyl 2-(2-oxocyclobutyl)acetate is O=C(CC1CCC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-oxocyclobutyl)acetate?
The InChIKey is ZJEUDIOIQBFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-12-7-6-11(12)8-13(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of benzyl 2-(2-oxocyclobutyl)acetate?
benzyl 2-(2-oxocyclobutyl)acetate has a molecular weight of 218.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-oxocyclobutyl)acetate is sourced from PubChem (CID 58062904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).