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

C11H19NO3 — CID 54758971

IUPACtert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12COC2
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-5-11(12)7-14-8-11/h4-8H2,1-3H3
InChIKeySDLALJACTHVVOO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.79
Rot. Bonds

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

tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate (PubChem CID 54758971) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
PubChem CID54758971
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12COC2
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-5-11(12)7-14-8-11/h4-8H2,1-3H3
InChIKeySDLALJACTHVVOO-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
CID 175669317
tert-butyl 1-oxa-8-azaspiro[3.4]octane-8-carboxylate
CID 71669234
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
CID 146026801
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
CID 139026509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate (CID 54758971) is tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate is CC(C)(C)OC(=O)N1CCCC12COC2.
What is the InChIKey of tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is SDLALJACTHVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-5-11(12)7-14-8-11/h4-8H2,1-3H3.
What are the key properties of tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 54758971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).