tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate

C13H24N2O3 — CID 56962159

IUPACtert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-5-13(10-15)9-14-6-8-17-13/h14H,4-10H2,1-3H3
InChIKeyKSLJZAAAQPGVRM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.38
Rot. Bonds

About tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate

tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate (PubChem CID 56962159) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate
PubChem CID56962159
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-5-13(10-15)9-14-6-8-17-13/h14H,4-10H2,1-3H3
InChIKeyKSLJZAAAQPGVRM-UHFFFAOYSA-N
XLogP1.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(piperidin-4-yloxy)methyl]piperidine-1-carboxylate
CID 19602711
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 53302318
tert-Butyl 1-oxa-4,9-diazaspiro(5.5)undecane-4-carboxylate
CID 53439217
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 67991811
Tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxylate
CID 71305869
Tert-butyl 4-(morpholin-2-yl)piperidine-1-carboxylate
CID 82379218
Tert-butyl 2-(piperidin-4-yl)morpholine-4-carboxylate
CID 82379223
Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 82380583
Tert-butyl 4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylate
CID 82380584
Tert-butyl 2-(3-aminopropyl)morpholine-4-carboxylate
CID 82385593
rac-tert-butyl (4aR,8aR)-octahydro-1H-pyrido[3,4-b][1,4]oxazine-6-carboxylate
CID 97777002
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate?
The IUPAC name of tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate (CID 56962159) is tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate?
The canonical SMILES for tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CNCCO2)C1.
What is the InChIKey of tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate?
The InChIKey is KSLJZAAAQPGVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-5-13(10-15)9-14-6-8-17-13/h14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate?
tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate is sourced from PubChem (CID 56962159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).