tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate

C13H24N2O4 — CID 178200490

IUPACtert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(COCC(N)CO2)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-5-4-13(8-15)9-17-6-10(14)7-18-13/h10H,4-9,14H2,1-3H3
InChIKeyIKDRTWBLGPSLFN-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.74
Rot. Bonds

About tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate

tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate (PubChem CID 178200490) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
PubChem CID178200490
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(COCC(N)CO2)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-5-4-13(8-15)9-17-6-10(14)7-18-13/h10H,4-9,14H2,1-3H3
InChIKeyIKDRTWBLGPSLFN-UHFFFAOYSA-N
XLogP0.74
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 7-(iodomethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
CID 154828517
tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
CID 165444330
tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71565256
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
9-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylic acid
CID 146050262
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 125113172
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 7-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 121229340
tert-butyl 3-(N'-hydroxycarbamimidoyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86657867

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate?
The IUPAC name of tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate (CID 178200490) is tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate?
The canonical SMILES for tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(COCC(N)CO2)C1.
What is the InChIKey of tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate?
The InChIKey is IKDRTWBLGPSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-5-4-13(8-15)9-17-6-10(14)7-18-13/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate?
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate is sourced from PubChem (CID 178200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).