ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate

C15H26N2O4 — CID 15480909

IUPACethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate
SMILESCCOC(=O)[C@]1(C)N=C(OCC)[C@H](C(C)C)N=C1OCC
InChIInChI=1S/C15H26N2O4/c1-7-19-12-11(10(4)5)16-13(20-8-2)15(6,17-12)14(18)21-9-3/h10-11H,7-9H2,1-6H3/t11-,15+/m0/s1
InChIKeySXPKDUKUIIFZBJ-XHDPSFHLSA-N
MW298.38 g/mol
LogP2.22
Rot. Bonds5

About ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate

ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate (PubChem CID 15480909) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate.

Molecular Properties

Compound Nameethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate
PubChem CID15480909
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate
SMILESCCOC(=O)[C@]1(C)N=C(OCC)[C@H](C(C)C)N=C1OCC
InChIInChI=1S/C15H26N2O4/c1-7-19-12-11(10(4)5)16-13(20-8-2)15(6,17-12)14(18)21-9-3/h10-11H,7-9H2,1-6H3/t11-,15+/m0/s1
InChIKeySXPKDUKUIIFZBJ-XHDPSFHLSA-N
XLogP2.22
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
CID 100935179
ethyl 2,4-dimethyl-5-oxo-1,3-oxazole-4-carboxylate
CID 154091027
diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate
CID 11302523
methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 45094329
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl (5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3,6-diethoxy-2H-pyrazine-5-carboxylate
CID 100935704
ethyl 3,5-dimethyl-1,4,2-dioxazole-5-carboxylate
CID 102571184
ethyl 1-acetyl-3-propan-2-ylcyclobutane-1-carboxylate
CID 79560591
ethyl 3-methylindazole-3-carboxylate
CID 121222577
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
ethyl 2-methylpropanoate;formic acid
CID 175762228
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate?
The IUPAC name of ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate (CID 15480909) is ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate.
What is the SMILES notation for ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate?
The canonical SMILES for ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate is CCOC(=O)[C@]1(C)N=C(OCC)[C@H](C(C)C)N=C1OCC.
What is the InChIKey of ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate?
The InChIKey is SXPKDUKUIIFZBJ-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-7-19-12-11(10(4)5)16-13(20-8-2)15(6,17-12)14(18)21-9-3/h10-11H,7-9H2,1-6H3/t11-,15+/m0/s1.
What are the key properties of ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate?
ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,5R)-3,6-diethoxy-5-methyl-2-propan-2-yl-2H-pyrazine-5-carboxylate is sourced from PubChem (CID 15480909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).