2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid

C13H24N2O2 — CID 103247689

IUPAC2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCC(CN1CCCCC1)NC1CCC1C(=O)O
InChIInChI=1S/C13H24N2O2/c1-10(9-15-7-3-2-4-8-15)14-12-6-5-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyXWICNKXCDYYRPE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds5

About 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid

2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 103247689) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID103247689
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCC(CN1CCCCC1)NC1CCC1C(=O)O
InChIInChI=1S/C13H24N2O2/c1-10(9-15-7-3-2-4-8-15)14-12-6-5-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyXWICNKXCDYYRPE-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 61471660
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 60940827
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 43434988
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 104860074
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 103262606
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849
2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103267849
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid (CID 103247689) is 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid is CC(CN1CCCCC1)NC1CCC1C(=O)O.
What is the InChIKey of 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is XWICNKXCDYYRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(9-15-7-3-2-4-8-15)14-12-6-5-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid?
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103247689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).