2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid

C9H12O4 — CID 2772064

IUPAC2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCCC2)O1
InChIInChI=1S/C9H12O4/c10-7-5-6(8(11)12)9(13-7)3-1-2-4-9/h6H,1-5H2,(H,11,12)
InChIKeyRHSJEQPXBBAWME-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.95
Rot. Bonds1

About 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid

2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid (PubChem CID 2772064) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid
PubChem CID2772064
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCCC2)O1
InChIInChI=1S/C9H12O4/c10-7-5-6(8(11)12)9(13-7)3-1-2-4-9/h6H,1-5H2,(H,11,12)
InChIKeyRHSJEQPXBBAWME-UHFFFAOYSA-N
XLogP0.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid?
The IUPAC name of 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid (CID 2772064) is 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid is O=C1CC(C(=O)O)C2(CCCC2)O1.
What is the InChIKey of 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid?
The InChIKey is RHSJEQPXBBAWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c10-7-5-6(8(11)12)9(13-7)3-1-2-4-9/h6H,1-5H2,(H,11,12).
What are the key properties of 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid?
2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid is sourced from PubChem (CID 2772064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).