9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid

C12H22N2O2 — CID 118173840

IUPAC9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESCNC1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C12H22N2O2/c1-13-10-2-4-12(5-3-10)6-8-14(9-7-12)11(15)16/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyOQVCHKLMIVRZJY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.91
Rot. Bonds1

About 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid

9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 118173840) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID118173840
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESCNC1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C12H22N2O2/c1-13-10-2-4-12(5-3-10)6-8-14(9-7-12)11(15)16/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyOQVCHKLMIVRZJY-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid (CID 118173840) is 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid is CNC1CCC2(CC1)CCN(C(=O)O)CC2.
What is the InChIKey of 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is OQVCHKLMIVRZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-10-2-4-12(5-3-10)6-8-14(9-7-12)11(15)16/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid?
9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methylamino)-3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 118173840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).