7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid

C13H23NO2 — CID 79687229

IUPAC7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CC2(CCC2)C1
InChIInChI=1S/C13H23NO2/c15-12(16)6-3-1-2-4-9-14-10-13(11-14)7-5-8-13/h1-11H2,(H,15,16)
InChIKeyUKYIGQYRLVNDDM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.51
Rot. Bonds7

About 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid

7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid (PubChem CID 79687229) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid.

Molecular Properties

Compound Name7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid
PubChem CID79687229
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CC2(CCC2)C1
InChIInChI=1S/C13H23NO2/c15-12(16)6-3-1-2-4-9-14-10-13(11-14)7-5-8-13/h1-11H2,(H,15,16)
InChIKeyUKYIGQYRLVNDDM-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid?
The IUPAC name of 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid (CID 79687229) is 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid.
What is the SMILES notation for 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid?
The canonical SMILES for 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid is O=C(O)CCCCCCN1CC2(CCC2)C1.
What is the InChIKey of 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid?
The InChIKey is UKYIGQYRLVNDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12(16)6-3-1-2-4-9-14-10-13(11-14)7-5-8-13/h1-11H2,(H,15,16).
What are the key properties of 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid?
7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-azaspiro[3.3]heptan-2-yl)heptanoic acid is sourced from PubChem (CID 79687229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).