7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid

C9H13NO3 — CID 68622356

IUPAC7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C1CC2CC(C1)CN(C(=O)O)C2
InChIInChI=1S/C9H13NO3/c11-8-2-6-1-7(3-8)5-10(4-6)9(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeySUKFDBLTAIHZSG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.97
Rot. Bonds

About 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid

7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid (PubChem CID 68622356) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid
PubChem CID68622356
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C1CC2CC(C1)CN(C(=O)O)C2
InChIInChI=1S/C9H13NO3/c11-8-2-6-1-7(3-8)5-10(4-6)9(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeySUKFDBLTAIHZSG-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The IUPAC name of 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid (CID 68622356) is 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid.
What is the SMILES notation for 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The canonical SMILES for 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid is O=C1CC2CC(C1)CN(C(=O)O)C2.
What is the InChIKey of 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The InChIKey is SUKFDBLTAIHZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-2-6-1-7(3-8)5-10(4-6)9(12)13/h6-7H,1-5H2,(H,12,13).
What are the key properties of 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid?
7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid is sourced from PubChem (CID 68622356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).