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

C10H17NO3 — CID 67212704

IUPAC2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
SMILESCN1C2COCC1CC(CC(=O)O)C2
InChIInChI=1S/C10H17NO3/c1-11-8-2-7(4-10(12)13)3-9(11)6-14-5-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyGRHXGQXVTRSXJW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds2

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

2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid (PubChem CID 67212704) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid.

Molecular Properties

Compound Name2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
PubChem CID67212704
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
SMILESCN1C2COCC1CC(CC(=O)O)C2
InChIInChI=1S/C10H17NO3/c1-11-8-2-7(4-10(12)13)3-9(11)6-14-5-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyGRHXGQXVTRSXJW-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid 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 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid?
The IUPAC name of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid (CID 67212704) is 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid.
What is the SMILES notation for 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid?
The canonical SMILES for 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid is CN1C2COCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid?
The InChIKey is GRHXGQXVTRSXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-8-2-7(4-10(12)13)3-9(11)6-14-5-8/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid?
2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid has a molecular weight of 199.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid is sourced from PubChem (CID 67212704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).