2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid

C11H17NO3 — CID 114501164

IUPAC2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1CN(C2CCC2C(=O)O)CCC1=O
InChIInChI=1S/C11H17NO3/c1-7-6-12(5-4-10(7)13)9-3-2-8(9)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyGKSCDFWYAUCGHJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds2

About 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid

2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 114501164) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID114501164
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1CN(C2CCC2C(=O)O)CCC1=O
InChIInChI=1S/C11H17NO3/c1-7-6-12(5-4-10(7)13)9-3-2-8(9)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyGKSCDFWYAUCGHJ-UHFFFAOYSA-N
XLogP0.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
CID 63996285
1-(2-hydroxycycloheptyl)-3-methylpiperidin-4-one
CID 114500475
1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
CID 130964873
2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997480
2-(3-aminopyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996284
2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996172
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997151
2-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997459
2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996398
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutane-1-carboxylic acid
CID 80996706
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid (CID 114501164) is 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid is CC1CN(C2CCC2C(=O)O)CCC1=O.
What is the InChIKey of 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is GKSCDFWYAUCGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-6-12(5-4-10(7)13)9-3-2-8(9)11(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid?
2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114501164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).