2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid

C10H17NO4 — CID 70666312

IUPAC2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid
SMILESO=C(O)COC1CC2CCCC(C1)N2O
InChIInChI=1S/C10H17NO4/c12-10(13)6-15-9-4-7-2-1-3-8(5-9)11(7)14/h7-9,14H,1-6H2,(H,12,13)
InChIKeyADCFLXBDTRJUBA-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.86
Rot. Bonds3

About 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid

2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid (PubChem CID 70666312) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid
PubChem CID70666312
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid
SMILESO=C(O)COC1CC2CCCC(C1)N2O
InChIInChI=1S/C10H17NO4/c12-10(13)6-15-9-4-7-2-1-3-8(5-9)11(7)14/h7-9,14H,1-6H2,(H,12,13)
InChIKeyADCFLXBDTRJUBA-UHFFFAOYSA-N
XLogP0.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid (CID 70666312) is 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid is O=C(O)COC1CC2CCCC(C1)N2O.
What is the InChIKey of 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid?
The InChIKey is ADCFLXBDTRJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-10(13)6-15-9-4-7-2-1-3-8(5-9)11(7)14/h7-9,14H,1-6H2,(H,12,13).
What are the key properties of 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid?
2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)oxy]acetic acid is sourced from PubChem (CID 70666312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).