methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

C8H13NO2 — CID 171090149

IUPACmethyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1CN(C)C2
InChIInChI=1S/C8H13NO2/c1-9-4-6-3-8(6,5-9)7(10)11-2/h6H,3-5H2,1-2H3
InChIKeyYPISVIWASYXBEU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.11
Rot. Bonds1

About methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 171090149) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID171090149
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1CN(C)C2
InChIInChI=1S/C8H13NO2/c1-9-4-6-3-8(6,5-9)7(10)11-2/h6H,3-5H2,1-2H3
InChIKeyYPISVIWASYXBEU-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
2-O-tert-butyl 7a-O-methyl (3aR,7aS)-5-methyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2,7a-dicarboxylate
CID 162394078
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 146294452
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 10987140
ethyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboximidate;dihydrochloride
CID 70593565
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
methyl (1S,2R,4S)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 124858995
1-(3a-hydroxy-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 170730118
(3aS,6aS)-5-(2-methoxycarbonylbenzoyl)-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50970769
2-O-tert-butyl 3a-O-methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxylate
CID 123240924
2-[9-hydroxy-1,5-bis(methoxycarbonyl)-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]pentanedioic acid;bis(pyridine)
CID 168967464

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate (CID 171090149) is methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate is COC(=O)C12CC1CN(C)C2.
What is the InChIKey of methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is YPISVIWASYXBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-6-3-8(6,5-9)7(10)11-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate?
methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 171090149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).