1-azaspiro[2.5]octane-2-carboxylic acid

C8H13NO2 — CID 90022907

IUPAC1-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1NC12CCCCC2
InChIInChI=1S/C8H13NO2/c10-7(11)6-8(9-6)4-2-1-3-5-8/h6,9H,1-5H2,(H,10,11)
InChIKeyRUVFNBLCVIOGFH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds1

About 1-azaspiro[2.5]octane-2-carboxylic acid

1-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 90022907) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name1-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID90022907
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1NC12CCCCC2
InChIInChI=1S/C8H13NO2/c10-7(11)6-8(9-6)4-2-1-3-5-8/h6,9H,1-5H2,(H,10,11)
InChIKeyRUVFNBLCVIOGFH-UHFFFAOYSA-N
XLogP0.75
TPSA59.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 1-azaspiro[2.5]octane-2-carboxylic acid (CID 90022907) is 1-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 1-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 1-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1NC12CCCCC2.
What is the InChIKey of 1-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RUVFNBLCVIOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7(11)6-8(9-6)4-2-1-3-5-8/h6,9H,1-5H2,(H,10,11).
What are the key properties of 1-azaspiro[2.5]octane-2-carboxylic acid?
1-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 90022907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).