3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one

C9H16N2O2 — CID 121202171

IUPAC3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one
SMILESNCCC(=O)N1CC2CC(C1)C2O
InChIInChI=1S/C9H16N2O2/c10-2-1-8(12)11-4-6-3-7(5-11)9(6)13/h6-7,9,13H,1-5,10H2
InChIKeyBYTLIYNRAMARSP-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.83
Rot. Bonds2

About 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one

3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one (PubChem CID 121202171) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one
PubChem CID121202171
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one
SMILESNCCC(=O)N1CC2CC(C1)C2O
InChIInChI=1S/C9H16N2O2/c10-2-1-8(12)11-4-6-3-7(5-11)9(6)13/h6-7,9,13H,1-5,10H2
InChIKeyBYTLIYNRAMARSP-UHFFFAOYSA-N
XLogP-0.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one (CID 121202171) is 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one is NCCC(=O)N1CC2CC(C1)C2O.
What is the InChIKey of 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one?
The InChIKey is BYTLIYNRAMARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-2-1-8(12)11-4-6-3-7(5-11)9(6)13/h6-7,9,13H,1-5,10H2.
What are the key properties of 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one?
3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one has a molecular weight of 184.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one is sourced from PubChem (CID 121202171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).