bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid

C14H24N2O6 — CID 91663917

IUPACbis(7-oxa-1-azaspiro[3.4]octane);oxalic acid
SMILESC1CC2(CCOC2)N1.C1CC2(CCOC2)N1.O=C(O)C(=O)O
InChIInChI=1S/2C6H11NO.C2H2O4/c2*1-3-7-6(1)2-4-8-5-6;3-1(4)2(5)6/h2*7H,1-5H2;(H,3,4)(H,5,6)
InChIKeyUYHNJOQRRFVIHM-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.57
Rot. Bonds

About bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid

bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid (PubChem CID 91663917) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid.

Molecular Properties

Compound Namebis(7-oxa-1-azaspiro[3.4]octane);oxalic acid
PubChem CID91663917
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namebis(7-oxa-1-azaspiro[3.4]octane);oxalic acid
SMILESC1CC2(CCOC2)N1.C1CC2(CCOC2)N1.O=C(O)C(=O)O
InChIInChI=1S/2C6H11NO.C2H2O4/c2*1-3-7-6(1)2-4-8-5-6;3-1(4)2(5)6/h2*7H,1-5H2;(H,3,4)(H,5,6)
InChIKeyUYHNJOQRRFVIHM-UHFFFAOYSA-N
XLogP-0.57
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(7-oxa-1-azaspiro[3.4]octane);oxalate
CID 122714495
2,10-dioxa-6-azaspiro[4.6]undecane
CID 118209581
7-oxa-4-azaspiro[2.5]octane;hydrochloride
CID 22342972
2-oxa-8-azaspiro[4.5]decane;oxalic acid
CID 71464355
7-oxa-1-azaspiro[3.5]nonane;hydrochloride
CID 122163983
8-oxa-4-azaspiro[2.6]nonane;hydrochloride
CID 119031117
2-oxa-7-azaspiro[4.4]nonane;oxalic acid
CID 171322884
7,10-dioxa-1-azaspiro[4.6]undecane
CID 118210203
7-oxa-1-azaspiro[4.4]nonan-3-one
CID 115011406
bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid
CID 90645632
(5S)-9-ethyl-2-oxa-6,9-diazaspiro[4.5]decane
CID 129498775
1,4-dioxane;oxalic acid
CID 160983598

Frequently Asked Questions

What is the IUPAC name of bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid?
The IUPAC name of bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid (CID 91663917) is bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid.
What is the SMILES notation for bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid?
The canonical SMILES for bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid is C1CC2(CCOC2)N1.C1CC2(CCOC2)N1.O=C(O)C(=O)O.
What is the InChIKey of bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid?
The InChIKey is UYHNJOQRRFVIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO.C2H2O4/c2*1-3-7-6(1)2-4-8-5-6;3-1(4)2(5)6/h2*7H,1-5H2;(H,3,4)(H,5,6).
What are the key properties of bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid?
bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid has a molecular weight of 316.35 g/mol, XLogP of -0.57, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid is sourced from PubChem (CID 91663917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).