ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate

C11H19NO2 — CID 59922428

IUPACethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate
SMILESCCOC(=O)N1C[C@@H]2CCC1CC2C
InChIInChI=1S/C11H19NO2/c1-3-14-11(13)12-7-9-4-5-10(12)6-8(9)2/h8-10H,3-7H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyOALQUFJTJLKBQP-KYHHOPLUSA-N
MW197.28 g/mol
LogP2.26
Rot. Bonds1

About ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate

ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate (PubChem CID 59922428) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate
PubChem CID59922428
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate
SMILESCCOC(=O)N1C[C@@H]2CCC1CC2C
InChIInChI=1S/C11H19NO2/c1-3-14-11(13)12-7-9-4-5-10(12)6-8(9)2/h8-10H,3-7H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyOALQUFJTJLKBQP-KYHHOPLUSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-(4-aminophenoxy)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 117050606
ethyl 5-[3-(azepane-1-carbonyloxy)azetidin-1-yl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 146627311
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl 5-[(1S,5R)-6-[ethyl(methoxy)carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 137360386
tert-butyl (1R,4R,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 166052623
tert-butyl (1S,4S,5R)-5-iodo-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 166052552
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
ethyl (1S,4R)-5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 129379126
ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate
CID 24978265
ethyl (1R,5S)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 58488104
ethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 130543565
ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate
CID 129460925

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate?
The IUPAC name of ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate (CID 59922428) is ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate.
What is the SMILES notation for ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate?
The canonical SMILES for ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate is CCOC(=O)N1C[C@@H]2CCC1CC2C.
What is the InChIKey of ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate?
The InChIKey is OALQUFJTJLKBQP-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-14-11(13)12-7-9-4-5-10(12)6-8(9)2/h8-10H,3-7H2,1-2H3/t8?,9-,10?/m0/s1.
What are the key properties of ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate?
ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate is sourced from PubChem (CID 59922428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).