methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

C10H17NO2 — CID 22944649

IUPACmethyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1CCC2CCC1N2C
InChIInChI=1S/C10H17NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h7-9H,3-6H2,1-2H3
InChIKeyDQZOBEGFLQYHHL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 22944649) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID22944649
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1CCC2CCC1N2C
InChIInChI=1S/C10H17NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h7-9H,3-6H2,1-2H3
InChIKeyDQZOBEGFLQYHHL-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1R,2S,3S,5R)-2-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 90680162
methyl (1S)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 3052072
methyl 8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 3051997
methyl (1R,2S,3S,5S)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 21152751
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (1S,2R,3S,5R)-3-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10354317
methyl (1S,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 67781854
methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 644015
methyl (1R,2R,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 98094965
methyl (1R,2R,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11385480
methyl (1S,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 165339397

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 22944649) is methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is COC(=O)C1CCC2CCC1N2C.
What is the InChIKey of methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is DQZOBEGFLQYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 22944649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).