2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid

C11H18FNO2 — CID 115029172

IUPAC2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid
SMILESCC1(F)CC2CNCC(C1)C2CC(=O)O
InChIInChI=1S/C11H18FNO2/c1-11(12)3-7-5-13-6-8(4-11)9(7)2-10(14)15/h7-9,13H,2-6H2,1H3,(H,14,15)
InChIKeyJVEWVJSTQNEFQG-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.43
Rot. Bonds2

About 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid

2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid (PubChem CID 115029172) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid
PubChem CID115029172
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid
SMILESCC1(F)CC2CNCC(C1)C2CC(=O)O
InChIInChI=1S/C11H18FNO2/c1-11(12)3-7-5-13-6-8(4-11)9(7)2-10(14)15/h7-9,13H,2-6H2,1H3,(H,14,15)
InChIKeyJVEWVJSTQNEFQG-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid (CID 115029172) is 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid is CC1(F)CC2CNCC(C1)C2CC(=O)O.
What is the InChIKey of 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid?
The InChIKey is JVEWVJSTQNEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-11(12)3-7-5-13-6-8(4-11)9(7)2-10(14)15/h7-9,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid?
2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid has a molecular weight of 215.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid is sourced from PubChem (CID 115029172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).