1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one

C10H18N2O2 — CID 130002803

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
SMILESNC1CC2CCC(C1)N2C(=O)CCO
InChIInChI=1S/C10H18N2O2/c11-7-5-8-1-2-9(6-7)12(8)10(14)3-4-13/h7-9,13H,1-6,11H2
InChIKeyKIRUXVHBVPLKDQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.15
Rot. Bonds2

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one (PubChem CID 130002803) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
PubChem CID130002803
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
SMILESNC1CC2CCC(C1)N2C(=O)CCO
InChIInChI=1S/C10H18N2O2/c11-7-5-8-1-2-9(6-7)12(8)10(14)3-4-13/h7-9,13H,1-6,11H2
InChIKeyKIRUXVHBVPLKDQ-UHFFFAOYSA-N
XLogP-0.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one (CID 130002803) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one is NC1CC2CCC(C1)N2C(=O)CCO.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one?
The InChIKey is KIRUXVHBVPLKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-7-5-8-1-2-9(6-7)12(8)10(14)3-4-13/h7-9,13H,1-6,11H2.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one has a molecular weight of 198.27 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 130002803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).