ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid

C13H27NO2 — CID 164560673

IUPACethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCC.CC.CN1CCC(C(=O)O)C2(CC2)C1
InChIInChI=1S/C9H15NO2.2C2H6/c1-10-5-2-7(8(11)12)9(6-10)3-4-9;2*1-2/h7H,2-6H2,1H3,(H,11,12);2*1-2H3
InChIKeyHGDVMSNJDRYUFM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.86
Rot. Bonds1

About ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid

ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 164560673) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

Compound Nameethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
PubChem CID164560673
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCC.CC.CN1CCC(C(=O)O)C2(CC2)C1
InChIInChI=1S/C9H15NO2.2C2H6/c1-10-5-2-7(8(11)12)9(6-10)3-4-9;2*1-2/h7H,2-6H2,1H3,(H,11,12);2*1-2H3
InChIKeyHGDVMSNJDRYUFM-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The IUPAC name of ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid (CID 164560673) is ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid.
What is the SMILES notation for ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The canonical SMILES for ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid is CC.CC.CN1CCC(C(=O)O)C2(CC2)C1.
What is the InChIKey of ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The InChIKey is HGDVMSNJDRYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.2C2H6/c1-10-5-2-7(8(11)12)9(6-10)3-4-9;2*1-2/h7H,2-6H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 229.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 164560673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).