2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride

C11H20ClNO2 — CID 45260810

IUPAC2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNCC12CCCCC2
InChIInChI=1S/C11H19NO2.ClH/c13-10(14)9-4-7-12-8-11(9)5-2-1-3-6-11;/h9,12H,1-8H2,(H,13,14);1H
InChIKeyDYRZFPGBXANACC-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.05
Rot. Bonds1

About 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride

2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride (PubChem CID 45260810) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride
PubChem CID45260810
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNCC12CCCCC2
InChIInChI=1S/C11H19NO2.ClH/c13-10(14)9-4-7-12-8-11(9)5-2-1-3-6-11;/h9,12H,1-8H2,(H,13,14);1H
InChIKeyDYRZFPGBXANACC-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride (CID 45260810) is 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCNCC12CCCCC2.
What is the InChIKey of 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride?
The InChIKey is DYRZFPGBXANACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c13-10(14)9-4-7-12-8-11(9)5-2-1-3-6-11;/h9,12H,1-8H2,(H,13,14);1H.
What are the key properties of 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride?
2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 45260810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).