ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate

C14H24N2O4 — CID 10924088

IUPACethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OCC)[C@@H](C(C)C)N=C1OCC
InChIInChI=1S/C14H24N2O4/c1-6-18-12-10(9(4)5)15-13(19-7-2)11(16-12)14(17)20-8-3/h9-11H,6-8H2,1-5H3/t10-,11?/m1/s1
InChIKeyZMTZCKCEAFOBFZ-NFJWQWPMSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds5

About ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate

ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate (PubChem CID 10924088) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
PubChem CID10924088
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OCC)[C@@H](C(C)C)N=C1OCC
InChIInChI=1S/C14H24N2O4/c1-6-18-12-10(9(4)5)15-13(19-7-2)11(16-12)14(17)20-8-3/h9-11H,6-8H2,1-5H3/t10-,11?/m1/s1
InChIKeyZMTZCKCEAFOBFZ-NFJWQWPMSA-N
XLogP1.83
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The IUPAC name of ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate (CID 10924088) is ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate.
What is the SMILES notation for ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The canonical SMILES for ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate is CCOC(=O)C1N=C(OCC)[C@@H](C(C)C)N=C1OCC.
What is the InChIKey of ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The InChIKey is ZMTZCKCEAFOBFZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-6-18-12-10(9(4)5)15-13(19-7-2)11(16-12)14(17)20-8-3/h9-11H,6-8H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate is sourced from PubChem (CID 10924088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).