5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid

C8H11NO3 — CID 105434041

IUPAC5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid
SMILESO=C1CCC(C(=O)O)C2(CC2)N1
InChIInChI=1S/C8H11NO3/c10-6-2-1-5(7(11)12)8(9-6)3-4-8/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKeyQPULELYZRUYVAZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.13
Rot. Bonds1

About 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid

5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 105434041) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid
PubChem CID105434041
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid
SMILESO=C1CCC(C(=O)O)C2(CC2)N1
InChIInChI=1S/C8H11NO3/c10-6-2-1-5(7(11)12)8(9-6)3-4-8/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKeyQPULELYZRUYVAZ-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid?
The IUPAC name of 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid (CID 105434041) is 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid.
What is the SMILES notation for 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid?
The canonical SMILES for 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid is O=C1CCC(C(=O)O)C2(CC2)N1.
What is the InChIKey of 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid?
The InChIKey is QPULELYZRUYVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-2-1-5(7(11)12)8(9-6)3-4-8/h5H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid?
5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 105434041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).