6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid

C12H21NO2 — CID 79686304

IUPAC6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c14-11(15)5-2-1-3-8-13-9-12(10-13)6-4-7-12/h1-10H2,(H,14,15)
InChIKeyOQGIQPJFZFTNJM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.12
Rot. Bonds6

About 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid

6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid (PubChem CID 79686304) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid
PubChem CID79686304
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c14-11(15)5-2-1-3-8-13-9-12(10-13)6-4-7-12/h1-10H2,(H,14,15)
InChIKeyOQGIQPJFZFTNJM-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.12
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[3.3]heptan-2-yl)hexanoic acid?
The IUPAC name of 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid (CID 79686304) is 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid.
What is the SMILES notation for 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid?
The canonical SMILES for 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid is O=C(O)CCCCCN1CC2(CCC2)C1.
What is the InChIKey of 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid?
The InChIKey is OQGIQPJFZFTNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11(15)5-2-1-3-8-13-9-12(10-13)6-4-7-12/h1-10H2,(H,14,15).
What are the key properties of 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid?
6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[3.3]heptan-2-yl)hexanoic acid is sourced from PubChem (CID 79686304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).