tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate

C10H17NO2 — CID 58077199

IUPACtert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC2C1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-5-7-4-8(7)6-11/h7-8H,4-6H2,1-3H3
InChIKeyGLWHHMBAMGJDAE-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.87
Rot. Bonds

About tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 58077199) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID58077199
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC2C1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-5-7-4-8(7)6-11/h7-8H,4-6H2,1-3H3
InChIKeyGLWHHMBAMGJDAE-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 58077199) is tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2CC2C1.
What is the InChIKey of tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is GLWHHMBAMGJDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-5-7-4-8(7)6-11/h7-8H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 58077199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).