1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride

C9H17ClN2O3 — CID 66964254

IUPAC1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C9H16N2O3.ClH/c12-8(13)11-4-1-9(2-5-11)7-10-3-6-14-9;/h10H,1-7H2,(H,12,13);1H
InChIKeyLSOHOMHEWBPEMK-UHFFFAOYSA-N
MW236.70 g/mol
LogP0.54
Rot. Bonds

About 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride

1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride (PubChem CID 66964254) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride
PubChem CID66964254
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C9H16N2O3.ClH/c12-8(13)11-4-1-9(2-5-11)7-10-3-6-14-9;/h10H,1-7H2,(H,12,13);1H
InChIKeyLSOHOMHEWBPEMK-UHFFFAOYSA-N
XLogP0.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride?
The IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride (CID 66964254) is 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride?
The canonical SMILES for 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride is Cl.O=C(O)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride?
The InChIKey is LSOHOMHEWBPEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c12-8(13)11-4-1-9(2-5-11)7-10-3-6-14-9;/h10H,1-7H2,(H,12,13);1H.
What are the key properties of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride?
1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid;hydrochloride is sourced from PubChem (CID 66964254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).