5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 122163372

IUPAC5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC12CCCNC2
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)6-4-8(6)2-1-3-9-5-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKeyWIHFQYQLWOGRON-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.88
Rot. Bonds1

About 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride

5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride (PubChem CID 122163372) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
PubChem CID122163372
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC12CCCNC2
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)6-4-8(6)2-1-3-9-5-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKeyWIHFQYQLWOGRON-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride (CID 122163372) is 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC12CCCNC2.
What is the InChIKey of 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride?
The InChIKey is WIHFQYQLWOGRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-7(11)6-4-8(6)2-1-3-9-5-8;/h6,9H,1-5H2,(H,10,11);1H.
What are the key properties of 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride?
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 122163372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).