tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

C14H23NO4 — CID 22975821

IUPACtert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCC(=O)O2)CC1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-9-7-14(8-10-15)6-4-5-11(16)18-14/h4-10H2,1-3H3
InChIKeyROLKPAVEOGASSU-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.48
Rot. Bonds

About tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 22975821) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID22975821
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCC(=O)O2)CC1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-9-7-14(8-10-15)6-4-5-11(16)18-14/h4-10H2,1-3H3
InChIKeyROLKPAVEOGASSU-UHFFFAOYSA-N
XLogP2.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl 6-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 121207045
tert-butyl 2-bromospiro[6,7-dihydrothieno[3,2-b]pyran-5,4'-piperidine]-1'-carboxylate
CID 178129440
tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
CID 67071399
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enoic acid
CID 77221189
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 22975821) is tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCC(=O)O2)CC1.
What is the InChIKey of tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is ROLKPAVEOGASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-9-7-14(8-10-15)6-4-5-11(16)18-14/h4-10H2,1-3H3.
What are the key properties of tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 22975821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).