bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate

C26H42N4O8 — CID 162368130

IUPACbis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNC2)C1OC(=O)C(=O)OC1N(C(=O)OC(C)(C)C)CCC12CCNC2
InChIInChI=1S/C26H42N4O8/c1-23(2,3)37-21(33)29-13-9-25(7-11-27-15-25)19(29)35-17(31)18(32)36-20-26(8-12-28-16-26)10-14-30(20)22(34)38-24(4,5)6/h19-20,27-28H,7-16H2,1-6H3
InChIKeyWVTGNOZQEZJZPV-UHFFFAOYSA-N
MW538.64 g/mol
LogP1.97
Rot. Bonds2

About bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate

bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate (PubChem CID 162368130) has the molecular formula C26H42N4O8 and a molecular weight of 538.64 g/mol. Its IUPAC name is bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate.

Molecular Properties

Compound Namebis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
PubChem CID162368130
Molecular FormulaC26H42N4O8
Molecular Weight538.64 g/mol
Exact Mass538.30
IUPAC Namebis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNC2)C1OC(=O)C(=O)OC1N(C(=O)OC(C)(C)C)CCC12CCNC2
InChIInChI=1S/C26H42N4O8/c1-23(2,3)37-21(33)29-13-9-25(7-11-27-15-25)19(29)35-17(31)18(32)36-20-26(8-12-28-16-26)10-14-30(20)22(34)38-24(4,5)6/h19-20,27-28H,7-16H2,1-6H3
InChIKeyWVTGNOZQEZJZPV-UHFFFAOYSA-N
XLogP1.97
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.64
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate with MolForge

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Related Compounds

tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71305847
tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate
CID 142283512
(3aS,7aR)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
CID 124656133
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
CID 83669338
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 82386806
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354

Frequently Asked Questions

What is the IUPAC name of bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate?
The IUPAC name of bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate (CID 162368130) is bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate.
What is the SMILES notation for bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate?
The canonical SMILES for bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate is CC(C)(C)OC(=O)N1CCC2(CCNC2)C1OC(=O)C(=O)OC1N(C(=O)OC(C)(C)C)CCC12CCNC2.
What is the InChIKey of bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate?
The InChIKey is WVTGNOZQEZJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O8/c1-23(2,3)37-21(33)29-13-9-25(7-11-27-15-25)19(29)35-17(31)18(32)36-20-26(8-12-28-16-26)10-14-30(20)22(34)38-24(4,5)6/h19-20,27-28H,7-16H2,1-6H3.
What are the key properties of bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate?
bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate has a molecular weight of 538.64 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate is sourced from PubChem (CID 162368130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).