2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C13H22N2O2 — CID 79854491

IUPAC2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESNC1(CC(=O)N2C3CCC2CC(O)C3)CCC1
InChIInChI=1S/C13H22N2O2/c14-13(4-1-5-13)8-12(17)15-9-2-3-10(15)7-11(16)6-9/h9-11,16H,1-8,14H2
InChIKeyPKUGFCLTAWYKDM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 79854491) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID79854491
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESNC1(CC(=O)N2C3CCC2CC(O)C3)CCC1
InChIInChI=1S/C13H22N2O2/c14-13(4-1-5-13)8-12(17)15-9-2-3-10(15)7-11(16)6-9/h9-11,16H,1-8,14H2
InChIKeyPKUGFCLTAWYKDM-UHFFFAOYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 79854491) is 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is NC1(CC(=O)N2C3CCC2CC(O)C3)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is PKUGFCLTAWYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-13(4-1-5-13)8-12(17)15-9-2-3-10(15)7-11(16)6-9/h9-11,16H,1-8,14H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 79854491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).