5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid

C12H21NO2 — CID 171432790

IUPAC5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCC(C)(C)N1CCC(C(=O)O)C2(CC2)C1
InChIInChI=1S/C12H21NO2/c1-11(2,3)13-7-4-9(10(14)15)12(8-13)5-6-12/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyCLHFFXDYIVMZAJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds1

About 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid

5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 171432790) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid
PubChem CID171432790
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCC(C)(C)N1CCC(C(=O)O)C2(CC2)C1
InChIInChI=1S/C12H21NO2/c1-11(2,3)13-7-4-9(10(14)15)12(8-13)5-6-12/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyCLHFFXDYIVMZAJ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid (CID 171432790) is 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The canonical SMILES for 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid is CC(C)(C)N1CCC(C(=O)O)C2(CC2)C1.
What is the InChIKey of 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The InChIKey is CLHFFXDYIVMZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,3)13-7-4-9(10(14)15)12(8-13)5-6-12/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid?
5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 171432790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).