6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid

C12H21NO2 — CID 64754215

IUPAC6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCC1CCCC2(CNCC2C(=O)O)C1C
InChIInChI=1S/C12H21NO2/c1-8-4-3-5-12(9(8)2)7-13-6-10(12)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyGYKDFBPISVOLDO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.73
Rot. Bonds1

About 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid

6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 64754215) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID64754215
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCC1CCCC2(CNCC2C(=O)O)C1C
InChIInChI=1S/C12H21NO2/c1-8-4-3-5-12(9(8)2)7-13-6-10(12)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyGYKDFBPISVOLDO-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid (CID 64754215) is 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid is CC1CCCC2(CNCC2C(=O)O)C1C.
What is the InChIKey of 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is GYKDFBPISVOLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-4-3-5-12(9(8)2)7-13-6-10(12)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid?
6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 64754215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).