2-oxa-7-azaspiro[4.4]nonane;oxalic acid

C9H15NO5 — CID 171322884

IUPAC2-oxa-7-azaspiro[4.4]nonane;oxalic acid
SMILESC1CC2(CCOC2)CN1.O=C(O)C(=O)O
InChIInChI=1S/C7H13NO.C2H2O4/c1-3-8-5-7(1)2-4-9-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)
InChIKeyDFYYSAUJGZOEGX-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.46
Rot. Bonds

About 2-oxa-7-azaspiro[4.4]nonane;oxalic acid

2-oxa-7-azaspiro[4.4]nonane;oxalic acid (PubChem CID 171322884) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-oxa-7-azaspiro[4.4]nonane;oxalic acid.

Molecular Properties

Compound Name2-oxa-7-azaspiro[4.4]nonane;oxalic acid
PubChem CID171322884
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-oxa-7-azaspiro[4.4]nonane;oxalic acid
SMILESC1CC2(CCOC2)CN1.O=C(O)C(=O)O
InChIInChI=1S/C7H13NO.C2H2O4/c1-3-8-5-7(1)2-4-9-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)
InChIKeyDFYYSAUJGZOEGX-UHFFFAOYSA-N
XLogP-0.46
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-azaspiro[4.4]nonane;oxalic acid?
The IUPAC name of 2-oxa-7-azaspiro[4.4]nonane;oxalic acid (CID 171322884) is 2-oxa-7-azaspiro[4.4]nonane;oxalic acid.
What is the SMILES notation for 2-oxa-7-azaspiro[4.4]nonane;oxalic acid?
The canonical SMILES for 2-oxa-7-azaspiro[4.4]nonane;oxalic acid is C1CC2(CCOC2)CN1.O=C(O)C(=O)O.
What is the InChIKey of 2-oxa-7-azaspiro[4.4]nonane;oxalic acid?
The InChIKey is DFYYSAUJGZOEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H2O4/c1-3-8-5-7(1)2-4-9-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6).
What are the key properties of 2-oxa-7-azaspiro[4.4]nonane;oxalic acid?
2-oxa-7-azaspiro[4.4]nonane;oxalic acid has a molecular weight of 217.22 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7-azaspiro[4.4]nonane;oxalic acid is sourced from PubChem (CID 171322884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).