bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid

C22H38N4O8 — CID 50902214

IUPACbis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
SMILESCC(C)(C)OC(=O)N1CC2(CNC2)C1.CC(C)(C)OC(=O)N1CC2(CNC2)C1.O=C(O)C(=O)O
InChIInChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPYRAMVPOMDHTNX-UHFFFAOYSA-N
MW486.57 g/mol
LogP0.81
Rot. Bonds

About bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid

bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid (PubChem CID 50902214) has the molecular formula C22H38N4O8 and a molecular weight of 486.57 g/mol. Its IUPAC name is bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid.

Molecular Properties

Compound Namebis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
PubChem CID50902214
Molecular FormulaC22H38N4O8
Molecular Weight486.57 g/mol
Exact Mass486.27
IUPAC Namebis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
SMILESCC(C)(C)OC(=O)N1CC2(CNC2)C1.CC(C)(C)OC(=O)N1CC2(CNC2)C1.O=C(O)C(=O)O
InChIInChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPYRAMVPOMDHTNX-UHFFFAOYSA-N
XLogP0.81
TPSA157.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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;oxalic acid
CID 53484576
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 6-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;2-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane
CID 161147767
bis(tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 164886537
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
CID 176582761
CID 176582761
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 6-(2-methylhydrazinyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156512590
tert-butyl 7-benzyl-3,7,10-triazatricyclo[3.3.3.01,5]undecane-3-carboxylate
CID 146675367
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid?
The IUPAC name of bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid (CID 50902214) is bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid.
What is the SMILES notation for bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid?
The canonical SMILES for bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid is CC(C)(C)OC(=O)N1CC2(CNC2)C1.CC(C)(C)OC(=O)N1CC2(CNC2)C1.O=C(O)C(=O)O.
What is the InChIKey of bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid?
The InChIKey is PYRAMVPOMDHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid?
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid has a molecular weight of 486.57 g/mol, XLogP of 0.81, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid is sourced from PubChem (CID 50902214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).