4-azaspiro[2.6]nonane-5-carboxylic acid

C9H15NO2 — CID 84653478

IUPAC4-azaspiro[2.6]nonane-5-carboxylic acid
SMILESO=C(O)C1CCCCC2(CC2)N1
InChIInChI=1S/C9H15NO2/c11-8(12)7-3-1-2-4-9(10-7)5-6-9/h7,10H,1-6H2,(H,11,12)
InChIKeyDGSIMRGPEHJGMD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.14
Rot. Bonds1

About 4-azaspiro[2.6]nonane-5-carboxylic acid

4-azaspiro[2.6]nonane-5-carboxylic acid (PubChem CID 84653478) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-azaspiro[2.6]nonane-5-carboxylic acid.

Molecular Properties

Compound Name4-azaspiro[2.6]nonane-5-carboxylic acid
PubChem CID84653478
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-azaspiro[2.6]nonane-5-carboxylic acid
SMILESO=C(O)C1CCCCC2(CC2)N1
InChIInChI=1S/C9H15NO2/c11-8(12)7-3-1-2-4-9(10-7)5-6-9/h7,10H,1-6H2,(H,11,12)
InChIKeyDGSIMRGPEHJGMD-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.6]nonane-5-carboxylic acid?
The IUPAC name of 4-azaspiro[2.6]nonane-5-carboxylic acid (CID 84653478) is 4-azaspiro[2.6]nonane-5-carboxylic acid.
What is the SMILES notation for 4-azaspiro[2.6]nonane-5-carboxylic acid?
The canonical SMILES for 4-azaspiro[2.6]nonane-5-carboxylic acid is O=C(O)C1CCCCC2(CC2)N1.
What is the InChIKey of 4-azaspiro[2.6]nonane-5-carboxylic acid?
The InChIKey is DGSIMRGPEHJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8(12)7-3-1-2-4-9(10-7)5-6-9/h7,10H,1-6H2,(H,11,12).
What are the key properties of 4-azaspiro[2.6]nonane-5-carboxylic acid?
4-azaspiro[2.6]nonane-5-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.6]nonane-5-carboxylic acid is sourced from PubChem (CID 84653478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).