6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid

C13H23NO2 — CID 79686414

IUPAC6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCCC2)C1
InChIInChI=1S/C13H23NO2/c15-12(16)6-2-1-5-9-14-10-13(11-14)7-3-4-8-13/h1-11H2,(H,15,16)
InChIKeyIYZFMPRPTCGSCM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.51
Rot. Bonds6

About 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid

6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid (PubChem CID 79686414) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid
PubChem CID79686414
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCCC2)C1
InChIInChI=1S/C13H23NO2/c15-12(16)6-2-1-5-9-14-10-13(11-14)7-3-4-8-13/h1-11H2,(H,15,16)
InChIKeyIYZFMPRPTCGSCM-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-azaspiro[3.4]octan-2-yl)hexanoic 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 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid?
The IUPAC name of 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid (CID 79686414) is 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid.
What is the SMILES notation for 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid?
The canonical SMILES for 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid is O=C(O)CCCCCN1CC2(CCCC2)C1.
What is the InChIKey of 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid?
The InChIKey is IYZFMPRPTCGSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12(16)6-2-1-5-9-14-10-13(11-14)7-3-4-8-13/h1-11H2,(H,15,16).
What are the key properties of 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid?
6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[3.4]octan-2-yl)hexanoic acid is sourced from PubChem (CID 79686414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).