6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride

C9H16ClNO3 — CID 146155863

IUPAC6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCOC12CCCC2
InChIInChI=1S/C9H15NO3.ClH/c11-8(12)7-9(3-1-2-4-9)13-6-5-10-7;/h7,10H,1-6H2,(H,11,12);1H
InChIKeyQLNAGHAXQWQIPY-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.79
Rot. Bonds1

About 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride

6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride (PubChem CID 146155863) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride
PubChem CID146155863
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCOC12CCCC2
InChIInChI=1S/C9H15NO3.ClH/c11-8(12)7-9(3-1-2-4-9)13-6-5-10-7;/h7,10H,1-6H2,(H,11,12);1H
InChIKeyQLNAGHAXQWQIPY-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride?
The IUPAC name of 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride (CID 146155863) is 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride?
The canonical SMILES for 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride is Cl.O=C(O)C1NCCOC12CCCC2.
What is the InChIKey of 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride?
The InChIKey is QLNAGHAXQWQIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c11-8(12)7-9(3-1-2-4-9)13-6-5-10-7;/h7,10H,1-6H2,(H,11,12);1H.
What are the key properties of 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride?
6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride is sourced from PubChem (CID 146155863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).