9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid

C14H24N2O2 — CID 66701001

IUPAC9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCC(N3CCC3)CC2)CC1
InChIInChI=1S/C14H24N2O2/c17-13(18)16-10-6-14(7-11-16)4-2-12(3-5-14)15-8-1-9-15/h12H,1-11H2,(H,17,18)
InChIKeyWUQJJOBZHBBTTL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds1

About 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid

9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66701001) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66701001
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CCC(N3CCC3)CC2)CC1
InChIInChI=1S/C14H24N2O2/c17-13(18)16-10-6-14(7-11-16)4-2-12(3-5-14)15-8-1-9-15/h12H,1-11H2,(H,17,18)
InChIKeyWUQJJOBZHBBTTL-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid (CID 66701001) is 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid is O=C(O)N1CCC2(CCC(N3CCC3)CC2)CC1.
What is the InChIKey of 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is WUQJJOBZHBBTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(18)16-10-6-14(7-11-16)4-2-12(3-5-14)15-8-1-9-15/h12H,1-11H2,(H,17,18).
What are the key properties of 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66701001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).