2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 122151363

IUPAC2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCC12CCCC2
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)6-8(5-9-6)3-1-2-4-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKeyGFILNOZNJLZHCO-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.02
Rot. Bonds1

About 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride

2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride (PubChem CID 122151363) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride
PubChem CID122151363
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCC12CCCC2
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)6-8(5-9-6)3-1-2-4-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKeyGFILNOZNJLZHCO-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride (CID 122151363) is 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1NCC12CCCC2.
What is the InChIKey of 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride?
The InChIKey is GFILNOZNJLZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-7(11)6-8(5-9-6)3-1-2-4-8;/h6,9H,1-5H2,(H,10,11);1H.
What are the key properties of 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride?
2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.4]octane-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 122151363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).