tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid

C14H24N2O6 — CID 53484576

IUPACtert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNC2.O=C(O)C(=O)O
InChIInChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;3-1(4)2(5)6/h13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySMOGGVSZSAELAA-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.76
Rot. Bonds

About tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid

tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid (PubChem CID 53484576) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid.

Molecular Properties

Compound Nametert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
PubChem CID53484576
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nametert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNC2.O=C(O)C(=O)O
InChIInChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;3-1(4)2(5)6/h13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySMOGGVSZSAELAA-UHFFFAOYSA-N
XLogP0.76
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.76
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

tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid?
The IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid (CID 53484576) is tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid.
What is the SMILES notation for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid?
The canonical SMILES for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid is CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.O=C(O)C(=O)O.
What is the InChIKey of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid?
The InChIKey is SMOGGVSZSAELAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;3-1(4)2(5)6/h13H,4-9H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid?
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid has a molecular weight of 316.35 g/mol, XLogP of 0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid is sourced from PubChem (CID 53484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).