8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid

C12H21NO2 — CID 65082433

IUPAC8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
SMILESCC1CCCC2(CC1)CNCC2C(=O)O
InChIInChI=1S/C12H21NO2/c1-9-3-2-5-12(6-4-9)8-13-7-10(12)11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyGJQDEIVISMALBI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds1

About 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid

8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid (PubChem CID 65082433) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
PubChem CID65082433
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
SMILESCC1CCCC2(CC1)CNCC2C(=O)O
InChIInChI=1S/C12H21NO2/c1-9-3-2-5-12(6-4-9)8-13-7-10(12)11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyGJQDEIVISMALBI-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid?
The IUPAC name of 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid (CID 65082433) is 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid is CC1CCCC2(CC1)CNCC2C(=O)O.
What is the InChIKey of 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid?
The InChIKey is GJQDEIVISMALBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-3-2-5-12(6-4-9)8-13-7-10(12)11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid?
8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid is sourced from PubChem (CID 65082433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).