2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid

C11H19NO2 — CID 11820035

IUPAC2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid
SMILESCN1[C@@H]2CCC[C@H]1CC(CC(=O)O)C2
InChIInChI=1S/C11H19NO2/c1-12-9-3-2-4-10(12)6-8(5-9)7-11(13)14/h8-10H,2-7H2,1H3,(H,13,14)/t8?,9-,10+
InChIKeyYSXVWMDSGDZAST-PBINXNQUSA-N
MW197.28 g/mol
LogP1.72
Rot. Bonds2

About 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid

2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid (PubChem CID 11820035) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid
PubChem CID11820035
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid
SMILESCN1[C@@H]2CCC[C@H]1CC(CC(=O)O)C2
InChIInChI=1S/C11H19NO2/c1-12-9-3-2-4-10(12)6-8(5-9)7-11(13)14/h8-10H,2-7H2,1H3,(H,13,14)/t8?,9-,10+
InChIKeyYSXVWMDSGDZAST-PBINXNQUSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid?
The IUPAC name of 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid (CID 11820035) is 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid.
What is the SMILES notation for 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid?
The canonical SMILES for 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid is CN1[C@@H]2CCC[C@H]1CC(CC(=O)O)C2.
What is the InChIKey of 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid?
The InChIKey is YSXVWMDSGDZAST-PBINXNQUSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-9-3-2-4-10(12)6-8(5-9)7-11(13)14/h8-10H,2-7H2,1H3,(H,13,14)/t8?,9-,10+.
What are the key properties of 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid?
2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid is sourced from PubChem (CID 11820035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).