2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride

C10H18ClNO2 — CID 71318826

IUPAC2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2(CCCCC2)CN1
InChIInChI=1S/C10H17NO2.ClH/c12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;/h8,11H,1-7H2,(H,12,13);1H
InChIKeyLKGVXZQEVABUOI-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.81
Rot. Bonds1

About 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride

2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride (PubChem CID 71318826) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride
PubChem CID71318826
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2(CCCCC2)CN1
InChIInChI=1S/C10H17NO2.ClH/c12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;/h8,11H,1-7H2,(H,12,13);1H
InChIKeyLKGVXZQEVABUOI-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride (CID 71318826) is 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC2(CCCCC2)CN1.
What is the InChIKey of 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride?
The InChIKey is LKGVXZQEVABUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;/h8,11H,1-7H2,(H,12,13);1H.
What are the key properties of 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride?
2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71318826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).