methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

C13H22FNO2 — CID 69293957

IUPACmethyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCCC(F)[C@@]12CC[C@@H](CCC1C(=O)OC)N2C
InChIInChI=1S/C13H22FNO2/c1-4-11(14)13-8-7-9(15(13)2)5-6-10(13)12(16)17-3/h9-11H,4-8H2,1-3H3/t9-,10?,11?,13-/m1/s1
InChIKeyVHNJYJHRZRXFGP-ZUYNKMSQSA-N
MW243.32 g/mol
LogP2.15
Rot. Bonds3

About methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 69293957) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID69293957
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Namemethyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCCC(F)[C@@]12CC[C@@H](CCC1C(=O)OC)N2C
InChIInChI=1S/C13H22FNO2/c1-4-11(14)13-8-7-9(15(13)2)5-6-10(13)12(16)17-3/h9-11H,4-8H2,1-3H3/t9-,10?,11?,13-/m1/s1
InChIKeyVHNJYJHRZRXFGP-ZUYNKMSQSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate with MolForge

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Related Compounds

methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11127215
Carbomethoxytropinone hydrochloride
CID 123131902
2-(Carbomethoxy)-3-tropinone
CID 251911
Ethyl 2-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}acetate
CID 53795717
Carboxyflurotropane
CID 129852086
Carboxyfluorotropane
CID 129869016
Dihydroanhydroecgonin
CID 416060
Tropane-2beta-carboxylic acid
CID 11401008
2-Carbomethoxy-3-tropinone
CID 13890823
Tropane-2b-carboxylic acid methyl ester
CID 129718805
Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 13890827
Methyl 8-(3-fluoropropyl)-3-(methylideneamino)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 68311450

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 69293957) is methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is CCC(F)[C@@]12CC[C@@H](CCC1C(=O)OC)N2C.
What is the InChIKey of methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is VHNJYJHRZRXFGP-ZUYNKMSQSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-4-11(14)13-8-7-9(15(13)2)5-6-10(13)12(16)17-3/h9-11H,4-8H2,1-3H3/t9-,10?,11?,13-/m1/s1.
What are the key properties of methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 243.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 69293957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).