methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate

C8H13NO2 — CID 146294452

IUPACmethyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1CCN2C
InChIInChI=1S/C8H13NO2/c1-9-4-3-6-5-8(6,9)7(10)11-2/h6H,3-5H2,1-2H3
InChIKeyBQSILMPPAYJHEC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.25
Rot. Bonds1

About methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate

methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 146294452) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID146294452
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1CCN2C
InChIInChI=1S/C8H13NO2/c1-9-4-3-6-5-8(6,9)7(10)11-2/h6H,3-5H2,1-2H3
InChIKeyBQSILMPPAYJHEC-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 72565182
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 171090149
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
CID 169228077
1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone
CID 170366318
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 118116625
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 10987140
methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 105441160
1-O-tert-butyl 6a-O-methyl 3,3a,4,6-tetrahydro-2H-thieno[3,4-b]pyrrole-1,6a-dicarboxylate
CID 178190234

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate (CID 146294452) is methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate is COC(=O)C12CC1CCN2C.
What is the InChIKey of methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is BQSILMPPAYJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-3-6-5-8(6,9)7(10)11-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate?
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 146294452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).