7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid

C7H9NO4 — CID 130302935

IUPAC7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid
SMILESO=C1COC2(C1)CN(C(=O)O)C2
InChIInChI=1S/C7H9NO4/c9-5-1-7(12-2-5)3-8(4-7)6(10)11/h1-4H2,(H,10,11)
InChIKeyFFPKSOYXYUFBER-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.29
Rot. Bonds

About 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid

7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid (PubChem CID 130302935) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid
PubChem CID130302935
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid
SMILESO=C1COC2(C1)CN(C(=O)O)C2
InChIInChI=1S/C7H9NO4/c9-5-1-7(12-2-5)3-8(4-7)6(10)11/h1-4H2,(H,10,11)
InChIKeyFFPKSOYXYUFBER-UHFFFAOYSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid (CID 130302935) is 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid is O=C1COC2(C1)CN(C(=O)O)C2.
What is the InChIKey of 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is FFPKSOYXYUFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-5-1-7(12-2-5)3-8(4-7)6(10)11/h1-4H2,(H,10,11).
What are the key properties of 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid?
7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 130302935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).