methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate

C12H19NO2 — CID 98151666

IUPACmethyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]3CC[C@@]1(C)[C@@]3(C)CN2
InChIInChI=1S/C12H19NO2/c1-10-7-13-12(9(14)15-3)6-8(10)4-5-11(10,12)2/h8,13H,4-7H2,1-3H3/t8-,10+,11+,12+/m1/s1
InChIKeyNGOQSYCFYKWLPP-QTKMDUPCSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds1

About methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate

methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate (PubChem CID 98151666) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate
PubChem CID98151666
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]3CC[C@@]1(C)[C@@]3(C)CN2
InChIInChI=1S/C12H19NO2/c1-10-7-13-12(9(14)15-3)6-8(10)4-5-11(10,12)2/h8,13H,4-7H2,1-3H3/t8-,10+,11+,12+/m1/s1
InChIKeyNGOQSYCFYKWLPP-QTKMDUPCSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate with MolForge

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Related Compounds

methyl 6,7-dimethyl-4-azoniatricyclo[4.3.0.03,7]nonane-3-carboxylate chloride
CID 43829183
(6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-3-yl)methanol
CID 6621013
methyl (1R,5R)-8,8-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 129413544
methyl 2-azabicyclo[3.2.0]heptane-1-carboxylate;hydrochloride
CID 165496032
trans-methyl (1S,3R)-3-hydroxy-1-methylcyclopentane-1-carboxylate
CID 99866879
methyl (1R,5S)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 124676840
methyl (1S,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 129413553
methyl (1S,2R,4S)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 124858995
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
methyl 2-methyl-4-(thian-4-yl)pyrrolidine-2-carboxylate
CID 117269877
methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 10987140
(1S,3R,6S,7R)-6,7-dimethyl-4-azoniatricyclo[4.3.0.03,7]nonane-3-carboxylate
CID 23309987

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate?
The IUPAC name of methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate (CID 98151666) is methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate.
What is the SMILES notation for methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate?
The canonical SMILES for methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate is COC(=O)[C@@]12C[C@H]3CC[C@@]1(C)[C@@]3(C)CN2.
What is the InChIKey of methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate?
The InChIKey is NGOQSYCFYKWLPP-QTKMDUPCSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-7-13-12(9(14)15-3)6-8(10)4-5-11(10,12)2/h8,13H,4-7H2,1-3H3/t8-,10+,11+,12+/m1/s1.
What are the key properties of methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate?
methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate is sourced from PubChem (CID 98151666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).