1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

C13H22N2O3 — CID 81167795

IUPAC1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCC1CCN(C(=O)CNC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-10-3-7-15(8-4-10)11(16)9-14-13(12(17)18)5-2-6-13/h10,14H,2-9H2,1H3,(H,17,18)
InChIKeyOLPCDGPMROASTK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81167795) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81167795
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCC1CCN(C(=O)CNC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-10-3-7-15(8-4-10)11(16)9-14-13(12(17)18)5-2-6-13/h10,14H,2-9H2,1H3,(H,17,18)
InChIKeyOLPCDGPMROASTK-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic 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

1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108942693
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (CID 81167795) is 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is CC1CCN(C(=O)CNC2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is OLPCDGPMROASTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-3-7-15(8-4-10)11(16)9-14-13(12(17)18)5-2-6-13/h10,14H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).