2-oxa-8-azaspiro[4.5]decane;oxalic acid

C10H17NO5 — CID 71464355

IUPAC2-oxa-8-azaspiro[4.5]decane;oxalic acid
SMILESC1CC2(CCN1)CCOC2.O=C(O)C(=O)O
InChIInChI=1S/C8H15NO.C2H2O4/c1-4-9-5-2-8(1)3-6-10-7-8;3-1(4)2(5)6/h9H,1-7H2;(H,3,4)(H,5,6)
InChIKeyXLWWMFHNLPANMB-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.07
Rot. Bonds

About 2-oxa-8-azaspiro[4.5]decane;oxalic acid

2-oxa-8-azaspiro[4.5]decane;oxalic acid (PubChem CID 71464355) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-oxa-8-azaspiro[4.5]decane;oxalic acid.

Molecular Properties

Compound Name2-oxa-8-azaspiro[4.5]decane;oxalic acid
PubChem CID71464355
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-oxa-8-azaspiro[4.5]decane;oxalic acid
SMILESC1CC2(CCN1)CCOC2.O=C(O)C(=O)O
InChIInChI=1S/C8H15NO.C2H2O4/c1-4-9-5-2-8(1)3-6-10-7-8;3-1(4)2(5)6/h9H,1-7H2;(H,3,4)(H,5,6)
InChIKeyXLWWMFHNLPANMB-UHFFFAOYSA-N
XLogP-0.07
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.07
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-8-azaspiro[4.5]decane;oxalic acid?
The IUPAC name of 2-oxa-8-azaspiro[4.5]decane;oxalic acid (CID 71464355) is 2-oxa-8-azaspiro[4.5]decane;oxalic acid.
What is the SMILES notation for 2-oxa-8-azaspiro[4.5]decane;oxalic acid?
The canonical SMILES for 2-oxa-8-azaspiro[4.5]decane;oxalic acid is C1CC2(CCN1)CCOC2.O=C(O)C(=O)O.
What is the InChIKey of 2-oxa-8-azaspiro[4.5]decane;oxalic acid?
The InChIKey is XLWWMFHNLPANMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H2O4/c1-4-9-5-2-8(1)3-6-10-7-8;3-1(4)2(5)6/h9H,1-7H2;(H,3,4)(H,5,6).
What are the key properties of 2-oxa-8-azaspiro[4.5]decane;oxalic acid?
2-oxa-8-azaspiro[4.5]decane;oxalic acid has a molecular weight of 231.25 g/mol, XLogP of -0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-8-azaspiro[4.5]decane;oxalic acid is sourced from PubChem (CID 71464355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).