benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H20N2O3 — CID 166067676

IUPACbenzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC1=NCCN(C(=O)OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H20N2O3/c1-3-19-14-12(2)17(10-9-16-14)15(18)20-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3/t12-/m1/s1
InChIKeyFLZMYASANJZDNG-GFCCVEGCSA-N
MW276.34 g/mol
LogP2.46
Rot. Bonds3

About benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate

benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 166067676) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID166067676
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC1=NCCN(C(=O)OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H20N2O3/c1-3-19-14-12(2)17(10-9-16-14)15(18)20-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3/t12-/m1/s1
InChIKeyFLZMYASANJZDNG-GFCCVEGCSA-N
XLogP2.46
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (5R)-5-methyl-6-(trifluoromethylsulfonyloxy)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 178096761
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CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
(1R)-1-methyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
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CID 157287353
(2R,3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carbothioic S-acid
CID 131712678
benzyl 4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023009
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023012
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167

Frequently Asked Questions

What is the IUPAC name of benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 166067676) is benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate is CCOC1=NCCN(C(=O)OCc2ccccc2)[C@@H]1C.
What is the InChIKey of benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is FLZMYASANJZDNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-19-14-12(2)17(10-9-16-14)15(18)20-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 166067676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).