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

C12H20N2O2 — CID 79854942

IUPAC2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESNC1(CC(=O)N2CC3CCC(C2)O3)CCC1
InChIInChI=1S/C12H20N2O2/c13-12(4-1-5-12)6-11(15)14-7-9-2-3-10(8-14)16-9/h9-10H,1-8,13H2
InChIKeyQYFNJQDCHIOFLU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.65
Rot. Bonds2

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

2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 79854942) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID79854942
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESNC1(CC(=O)N2CC3CCC(C2)O3)CCC1
InChIInChI=1S/C12H20N2O2/c13-12(4-1-5-12)6-11(15)14-7-9-2-3-10(8-14)16-9/h9-10H,1-8,13H2
InChIKeyQYFNJQDCHIOFLU-UHFFFAOYSA-N
XLogP0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 79851326
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217667
(3S,4S)-1-[2-(1-aminocyclobutyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085644
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
CID 79308679
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918559
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(1-aminocyclobutyl)-1-[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]ethanone
CID 124701295
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 79854942) is 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is NC1(CC(=O)N2CC3CCC(C2)O3)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is QYFNJQDCHIOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-12(4-1-5-12)6-11(15)14-7-9-2-3-10(8-14)16-9/h9-10H,1-8,13H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 79854942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).