6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid

C14H25NO2 — CID 79687782

IUPAC6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2/c16-13(17)7-3-1-6-10-15-11-14(12-15)8-4-2-5-9-14/h1-12H2,(H,16,17)
InChIKeyURDOCDYLCKKEAR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.90
Rot. Bonds6

About 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid

6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid (PubChem CID 79687782) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid
PubChem CID79687782
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2/c16-13(17)7-3-1-6-10-15-11-14(12-15)8-4-2-5-9-14/h1-12H2,(H,16,17)
InChIKeyURDOCDYLCKKEAR-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
The IUPAC name of 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid (CID 79687782) is 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid.
What is the SMILES notation for 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
The canonical SMILES for 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid is O=C(O)CCCCCN1CC2(CCCCC2)C1.
What is the InChIKey of 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
The InChIKey is URDOCDYLCKKEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13(17)7-3-1-6-10-15-11-14(12-15)8-4-2-5-9-14/h1-12H2,(H,16,17).
What are the key properties of 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid?
6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[3.5]nonan-2-yl)hexanoic acid is sourced from PubChem (CID 79687782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).