3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride

C11H20ClNO2 — CID 155973773

IUPAC3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2(CCCCC2)CCN1
InChIInChI=1S/C11H19NO2.ClH/c13-10(14)9-8-11(6-7-12-9)4-2-1-3-5-11;/h9,12H,1-8H2,(H,13,14);1H
InChIKeyPKKKUVBGZWJINX-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.20
Rot. Bonds1

About 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride

3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride (PubChem CID 155973773) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride
PubChem CID155973773
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2(CCCCC2)CCN1
InChIInChI=1S/C11H19NO2.ClH/c13-10(14)9-8-11(6-7-12-9)4-2-1-3-5-11;/h9,12H,1-8H2,(H,13,14);1H
InChIKeyPKKKUVBGZWJINX-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride 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 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride (CID 155973773) is 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC2(CCCCC2)CCN1.
What is the InChIKey of 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride?
The InChIKey is PKKKUVBGZWJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c13-10(14)9-8-11(6-7-12-9)4-2-1-3-5-11;/h9,12H,1-8H2,(H,13,14);1H.
What are the key properties of 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride?
3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecane-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 155973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).