methyl 2-cyclopentyl-3-oxobutanoate

C10H16O3 — CID 82937018

IUPACmethyl 2-cyclopentyl-3-oxobutanoate
SMILESCOC(=O)C(C(C)=O)C1CCCC1
InChIInChI=1S/C10H16O3/c1-7(11)9(10(12)13-2)8-5-3-4-6-8/h8-9H,3-6H2,1-2H3
InChIKeyRQMOXDREVMXCFY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-cyclopentyl-3-oxobutanoate

methyl 2-cyclopentyl-3-oxobutanoate (PubChem CID 82937018) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl 2-cyclopentyl-3-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-3-oxobutanoate
PubChem CID82937018
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-cyclopentyl-3-oxobutanoate
SMILESCOC(=O)C(C(C)=O)C1CCCC1
InChIInChI=1S/C10H16O3/c1-7(11)9(10(12)13-2)8-5-3-4-6-8/h8-9H,3-6H2,1-2H3
InChIKeyRQMOXDREVMXCFY-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 2-cyclopentyl-3-oxobutanoate 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

Hedione
CID 102861
Methyl dihydrojasmonate, trans-(-)-
CID 1738124
Ethyl 2-acetyloctanoate
CID 121790
Ethyl 2-oxocyclooctane-1-carboxylate
CID 227421
Ethyl 2-oxocycloheptane-1-carboxylate
CID 279795
Methyl 2-oxocycloheptane-1-carboxylate
CID 288225
Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
CID 103546
1,3-Diethyl 2-cyclopentylpropanedioate
CID 249269
Heptanoic acid, 2-acetyl-, ethyl ester
CID 91162
Methyl 2-acetyloctanoate
CID 3390996
2(3H)-Furanone, 3-acetyl-5-butyldihydro-
CID 3084764
Ethyl 2-acetylnonanoate
CID 98975

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-3-oxobutanoate?
The IUPAC name of methyl 2-cyclopentyl-3-oxobutanoate (CID 82937018) is methyl 2-cyclopentyl-3-oxobutanoate.
What is the SMILES notation for methyl 2-cyclopentyl-3-oxobutanoate?
The canonical SMILES for methyl 2-cyclopentyl-3-oxobutanoate is COC(=O)C(C(C)=O)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-3-oxobutanoate?
The InChIKey is RQMOXDREVMXCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(11)9(10(12)13-2)8-5-3-4-6-8/h8-9H,3-6H2,1-2H3.
What are the key properties of methyl 2-cyclopentyl-3-oxobutanoate?
methyl 2-cyclopentyl-3-oxobutanoate has a molecular weight of 184.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-3-oxobutanoate is sourced from PubChem (CID 82937018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).