2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone

C8H14N2O2 — CID 121202168

IUPAC2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone
SMILESNCC(=O)N1CC2CC(C1)C2O
InChIInChI=1S/C8H14N2O2/c9-2-7(11)10-3-5-1-6(4-10)8(5)12/h5-6,8,12H,1-4,9H2
InChIKeyLCIMRBZYXAHFJN-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.22
Rot. Bonds1

About 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone

2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone (PubChem CID 121202168) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone
PubChem CID121202168
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone
SMILESNCC(=O)N1CC2CC(C1)C2O
InChIInChI=1S/C8H14N2O2/c9-2-7(11)10-3-5-1-6(4-10)8(5)12/h5-6,8,12H,1-4,9H2
InChIKeyLCIMRBZYXAHFJN-UHFFFAOYSA-N
XLogP-1.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone?
The IUPAC name of 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone (CID 121202168) is 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone is NCC(=O)N1CC2CC(C1)C2O.
What is the InChIKey of 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone?
The InChIKey is LCIMRBZYXAHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-2-7(11)10-3-5-1-6(4-10)8(5)12/h5-6,8,12H,1-4,9H2.
What are the key properties of 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone?
2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone has a molecular weight of 170.21 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)ethanone is sourced from PubChem (CID 121202168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).