1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid

C14H23NO2 — CID 115447033

IUPAC1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CCCCC3)C2)CCC1
InChIInChI=1S/C14H23NO2/c16-12(17)14(7-4-8-14)11-15-9-13(10-15)5-2-1-3-6-13/h1-11H2,(H,16,17)
InChIKeyUSUIJYDGYILSSG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid

1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid (PubChem CID 115447033) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
PubChem CID115447033
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CC3(CCCCC3)C2)CCC1
InChIInChI=1S/C14H23NO2/c16-12(17)14(7-4-8-14)11-15-9-13(10-15)5-2-1-3-6-13/h1-11H2,(H,16,17)
InChIKeyUSUIJYDGYILSSG-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid 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 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid (CID 115447033) is 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CN2CC3(CCCCC3)C2)CCC1.
What is the InChIKey of 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid?
The InChIKey is USUIJYDGYILSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-12(17)14(7-4-8-14)11-15-9-13(10-15)5-2-1-3-6-13/h1-11H2,(H,16,17).
What are the key properties of 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid?
1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115447033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).