tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid

C13H22N2O6 — CID 118705199

IUPACtert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
SMILESCC(C)(C)OC(=O)N1CCC12CCNC2.O=C(O)C(=O)O
InChIInChI=1S/C11H20N2O2.C2H2O4/c1-10(2,3)15-9(14)13-7-5-11(13)4-6-12-8-11;3-1(4)2(5)6/h12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyXWUVWGSPBULRIO-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.51
Rot. Bonds

About tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid

tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid (PubChem CID 118705199) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid.

Molecular Properties

Compound Nametert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
PubChem CID118705199
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Nametert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
SMILESCC(C)(C)OC(=O)N1CCC12CCNC2.O=C(O)C(=O)O
InChIInChI=1S/C11H20N2O2.C2H2O4/c1-10(2,3)15-9(14)13-7-5-11(13)4-6-12-8-11;3-1(4)2(5)6/h12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyXWUVWGSPBULRIO-UHFFFAOYSA-N
XLogP0.51
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 170907562
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
CID 150998309
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
CID 53484576
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
CID 146026801

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid?
The IUPAC name of tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid (CID 118705199) is tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid.
What is the SMILES notation for tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid?
The canonical SMILES for tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid is CC(C)(C)OC(=O)N1CCC12CCNC2.O=C(O)C(=O)O.
What is the InChIKey of tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid?
The InChIKey is XWUVWGSPBULRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H2O4/c1-10(2,3)15-9(14)13-7-5-11(13)4-6-12-8-11;3-1(4)2(5)6/h12H,4-8H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid?
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid has a molecular weight of 302.33 g/mol, XLogP of 0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid is sourced from PubChem (CID 118705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).