8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride

C9H16ClNO3 — CID 138987845

IUPAC8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC12CCOCC2
InChIInChI=1S/C9H15NO3.ClH/c11-8(12)7-1-4-10-9(7)2-5-13-6-3-9;/h7,10H,1-6H2,(H,11,12);1H
InChIKeyDDJIQWCWLGGINJ-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.65
Rot. Bonds1

About 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride

8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride (PubChem CID 138987845) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
PubChem CID138987845
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC12CCOCC2
InChIInChI=1S/C9H15NO3.ClH/c11-8(12)7-1-4-10-9(7)2-5-13-6-3-9;/h7,10H,1-6H2,(H,11,12);1H
InChIKeyDDJIQWCWLGGINJ-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
CID 125041561
methyl 7-oxa-1-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 155970957
1,4,7,10,16,19-hexaoxacyclotetracosane-12,13,13,22-tetracarboxylic acid
CID 19822393
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
4,4-dimethyloxane-3-carboxylic acid
CID 83669967
(4R)-oxepane-4-carboxylic acid
CID 72698896
(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
CID 125424405
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 95364014
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 121199824
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158

Frequently Asked Questions

What is the IUPAC name of 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride?
The IUPAC name of 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride (CID 138987845) is 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride?
The canonical SMILES for 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCNC12CCOCC2.
What is the InChIKey of 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride?
The InChIKey is DDJIQWCWLGGINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c11-8(12)7-1-4-10-9(7)2-5-13-6-3-9;/h7,10H,1-6H2,(H,11,12);1H.
What are the key properties of 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride?
8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 138987845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).