tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

C11H17NO4 — CID 99114871

IUPACtert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)OCCC2=O
InChIInChI=1S/C11H17NO4/c1-10(2,3)16-9(14)12-6-11(7-12)8(13)4-5-15-11/h4-7H2,1-3H3
InChIKeyITVGWURCDQLPGN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.97
Rot. Bonds

About tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 99114871) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID99114871
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nametert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)OCCC2=O
InChIInChI=1S/C11H17NO4/c1-10(2,3)16-9(14)12-6-11(7-12)8(13)4-5-15-11/h4-7H2,1-3H3
InChIKeyITVGWURCDQLPGN-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 170986746
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl (3S)-3-fluoro-4-oxo-3-(trifluoromethyl)piperidine-1-carboxylate
CID 135241339
tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373313
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
CID 175821609
tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 155891545
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
tert-butyl 1-methyl-7-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 53408539
tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
CID 170352267
tert-butyl 3-cyclopropyl-4-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 156539636

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate (CID 99114871) is tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)OCCC2=O.
What is the InChIKey of tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is ITVGWURCDQLPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-10(2,3)16-9(14)12-6-11(7-12)8(13)4-5-15-11/h4-7H2,1-3H3.
What are the key properties of tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 99114871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).