7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

C11H17NO4 — CID 105359842

IUPAC7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1(C)CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C11H17NO4/c1-10(2)6-11(3-4-16-10)5-7(13)12-8(11)9(14)15/h8H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXIZPHLMZIRCTRT-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.53
Rot. Bonds1

About 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359842) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359842
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1(C)CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C11H17NO4/c1-10(2)6-11(3-4-16-10)5-7(13)12-8(11)9(14)15/h8H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXIZPHLMZIRCTRT-UHFFFAOYSA-N
XLogP0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359842) is 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is CC1(C)CC2(CCO1)CC(=O)NC2C(=O)O.
What is the InChIKey of 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is XIZPHLMZIRCTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-10(2)6-11(3-4-16-10)5-7(13)12-8(11)9(14)15/h8H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).