tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C19H32N2O5 — CID 134312366

IUPACtert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNCC(C1CCC(C=O)CO1)O2
InChIInChI=1S/C19H32N2O5/c1-18(2,3)26-17(23)21-8-6-19(7-9-21)13-20-10-16(25-19)15-5-4-14(11-22)12-24-15/h11,14-16,20H,4-10,12-13H2,1-3H3
InChIKeyIBIRKDCDRYDLGO-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.74
Rot. Bonds2

About tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 134312366) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID134312366
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNCC(C1CCC(C=O)CO1)O2
InChIInChI=1S/C19H32N2O5/c1-18(2,3)26-17(23)21-8-6-19(7-9-21)13-20-10-16(25-19)15-5-4-14(11-22)12-24-15/h11,14-16,20H,4-10,12-13H2,1-3H3
InChIKeyIBIRKDCDRYDLGO-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
CID 129073943
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 129069930
acetic acid;tert-butyl 2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130202721
tert-butyl (2R)-2-formyl-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 97305329
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814
9-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylic acid
CID 146050262
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 2-(bromomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 138987543
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (CID 134312366) is tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(C1CCC(C=O)CO1)O2.
What is the InChIKey of tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is IBIRKDCDRYDLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-18(2,3)26-17(23)21-8-6-19(7-9-21)13-20-10-16(25-19)15-5-4-14(11-22)12-24-15/h11,14-16,20H,4-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 134312366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).