9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid

C11H20N2O2 — CID 118394060

IUPAC9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESNC1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C11H20N2O2/c12-9-1-3-11(4-2-9)5-7-13(8-6-11)10(14)15/h9H,1-8,12H2,(H,14,15)
InChIKeyXACYIOHFOITWNG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.65
Rot. Bonds

About 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid

9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 118394060) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID118394060
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESNC1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C11H20N2O2/c12-9-1-3-11(4-2-9)5-7-13(8-6-11)10(14)15/h9H,1-8,12H2,(H,14,15)
InChIKeyXACYIOHFOITWNG-UHFFFAOYSA-N
XLogP1.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid (CID 118394060) is 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid is NC1CCC2(CC1)CCN(C(=O)O)CC2.
What is the InChIKey of 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is XACYIOHFOITWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-9-1-3-11(4-2-9)5-7-13(8-6-11)10(14)15/h9H,1-8,12H2,(H,14,15).
What are the key properties of 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid?
9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 118394060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).