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

C12H22N2O3 — CID 126540381

IUPAC2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC1=NCCN(C(=O)OCC(C)C)[C@@H]1C
InChIInChI=1S/C12H22N2O3/c1-5-16-11-10(4)14(7-6-13-11)12(15)17-8-9(2)3/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyYBEPEIRDFPUEAS-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.92
Rot. Bonds3

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

2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 126540381) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID126540381
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC1=NCCN(C(=O)OCC(C)C)[C@@H]1C
InChIInChI=1S/C12H22N2O3/c1-5-16-11-10(4)14(7-6-13-11)12(15)17-8-9(2)3/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyYBEPEIRDFPUEAS-SNVBAGLBSA-N
XLogP1.92
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 126540381) is 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate is CCOC1=NCCN(C(=O)OCC(C)C)[C@@H]1C.
What is the InChIKey of 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is YBEPEIRDFPUEAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-16-11-10(4)14(7-6-13-11)12(15)17-8-9(2)3/h9-10H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate?
2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 126540381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).