3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid

C8H11NO4 — CID 83482975

IUPAC3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid
SMILESO=C1CC2(CCOC2)C(C(=O)O)N1
InChIInChI=1S/C8H11NO4/c10-5-3-8(1-2-13-4-8)6(9-5)7(11)12/h6H,1-4H2,(H,9,10)(H,11,12)
InChIKeyVUAXAOPRXXDADW-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.63
Rot. Bonds1

About 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid

3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid (PubChem CID 83482975) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid
PubChem CID83482975
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid
SMILESO=C1CC2(CCOC2)C(C(=O)O)N1
InChIInChI=1S/C8H11NO4/c10-5-3-8(1-2-13-4-8)6(9-5)7(11)12/h6H,1-4H2,(H,9,10)(H,11,12)
InChIKeyVUAXAOPRXXDADW-UHFFFAOYSA-N
XLogP-0.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid?
The IUPAC name of 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid (CID 83482975) is 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid.
What is the SMILES notation for 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid?
The canonical SMILES for 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid is O=C1CC2(CCOC2)C(C(=O)O)N1.
What is the InChIKey of 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid?
The InChIKey is VUAXAOPRXXDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-5-3-8(1-2-13-4-8)6(9-5)7(11)12/h6H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid?
3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid is sourced from PubChem (CID 83482975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).