9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid

C11H17NO3 — CID 66701100

IUPAC9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C11H17NO3/c13-9-1-3-11(4-2-9)5-7-12(8-6-11)10(14)15/h1-8H2,(H,14,15)
InChIKeyZMEPJQBRGSBFQM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.89
Rot. Bonds

About 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid

9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66701100) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66701100
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C11H17NO3/c13-9-1-3-11(4-2-9)5-7-12(8-6-11)10(14)15/h1-8H2,(H,14,15)
InChIKeyZMEPJQBRGSBFQM-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid (CID 66701100) is 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid is O=C1CCC2(CC1)CCN(C(=O)O)CC2.
What is the InChIKey of 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is ZMEPJQBRGSBFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-1-3-11(4-2-9)5-7-12(8-6-11)10(14)15/h1-8H2,(H,14,15).
What are the key properties of 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid?
9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66701100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).