4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one

C11H20N2O2 — CID 63769983

IUPAC4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
SMILESNCCCC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H20N2O2/c12-5-1-2-11(15)13-8-3-4-9(13)7-10(14)6-8/h8-10,14H,1-7,12H2
InChIKeyZMAWYMCKZSDUIN-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.24
Rot. Bonds3

About 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one

4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one (PubChem CID 63769983) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
PubChem CID63769983
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
SMILESNCCCC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H20N2O2/c12-5-1-2-11(15)13-8-3-4-9(13)7-10(14)6-8/h8-10,14H,1-7,12H2
InChIKeyZMAWYMCKZSDUIN-UHFFFAOYSA-N
XLogP0.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 63763771
3-(4-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769674
4-hydroxy-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 79192626
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridin-4-ylpropan-1-one
CID 78995399
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 80599028
(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 141143444
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one
CID 113375215
3-(3-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 80700737
4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 63762538
3-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
CID 63768013
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one
CID 63763456
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
CID 65427706

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one (CID 63769983) is 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one is NCCCC(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
The InChIKey is ZMAWYMCKZSDUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-5-1-2-11(15)13-8-3-4-9(13)7-10(14)6-8/h8-10,14H,1-7,12H2.
What are the key properties of 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one?
4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one is sourced from PubChem (CID 63769983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).