tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

C11H19NO3 — CID 155978065

IUPACtert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C)OC2(C)C1
InChIInChI=1S/C11H19NO3/c1-9(2,3)14-8(13)12-6-10(4)11(5,7-12)15-10/h6-7H2,1-5H3
InChIKeyIVFUYEGKYSWZRZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.78
Rot. Bonds

About tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 155978065) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID155978065
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C)OC2(C)C1
InChIInChI=1S/C11H19NO3/c1-9(2,3)14-8(13)12-6-10(4)11(5,7-12)15-10/h6-7H2,1-5H3
InChIKeyIVFUYEGKYSWZRZ-UHFFFAOYSA-N
XLogP1.78
TPSA42.07 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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 155978065) is tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2(C)OC2(C)C1.
What is the InChIKey of tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is IVFUYEGKYSWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2,3)14-8(13)12-6-10(4)11(5,7-12)15-10/h6-7H2,1-5H3.
What are the key properties of tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 155978065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).