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

C11H19NO2 — CID 22224988

IUPAC3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H19NO2/c13-10(14)12-8-6-11(7-9-12)4-2-1-3-5-11/h1-9H2,(H,13,14)
InChIKeyUHYHVEMCWWCNBQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.71
Rot. Bonds

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

3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 22224988) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID22224988
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H19NO2/c13-10(14)12-8-6-11(7-9-12)4-2-1-3-5-11/h1-9H2,(H,13,14)
InChIKeyUHYHVEMCWWCNBQ-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 3-azaspiro[5.5]undecane-3-carboxylic acid (CID 22224988) is 3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 3-azaspiro[5.5]undecane-3-carboxylic acid is O=C(O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is UHYHVEMCWWCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10(14)12-8-6-11(7-9-12)4-2-1-3-5-11/h1-9H2,(H,13,14).
What are the key properties of 3-azaspiro[5.5]undecane-3-carboxylic acid?
3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 22224988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).