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

C12H20N2O4 — CID 69167302

IUPACethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OC)[C@@H](C(C)C)N=C1OC
InChIInChI=1S/C12H20N2O4/c1-6-18-12(15)9-11(17-5)13-8(7(2)3)10(14-9)16-4/h7-9H,6H2,1-5H3/t8-,9?/m1/s1
InChIKeyQIRFLQYNXZYPRW-VEDVMXKPSA-N
MW256.30 g/mol
LogP1.05
Rot. Bonds3

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

ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate (PubChem CID 69167302) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
PubChem CID69167302
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OC)[C@@H](C(C)C)N=C1OC
InChIInChI=1S/C12H20N2O4/c1-6-18-12(15)9-11(17-5)13-8(7(2)3)10(14-9)16-4/h7-9H,6H2,1-5H3/t8-,9?/m1/s1
InChIKeyQIRFLQYNXZYPRW-VEDVMXKPSA-N
XLogP1.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The IUPAC name of ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate (CID 69167302) is ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate.
What is the SMILES notation for ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The canonical SMILES for ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate is CCOC(=O)C1N=C(OC)[C@@H](C(C)C)N=C1OC.
What is the InChIKey of ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The InChIKey is QIRFLQYNXZYPRW-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-6-18-12(15)9-11(17-5)13-8(7(2)3)10(14-9)16-4/h7-9H,6H2,1-5H3/t8-,9?/m1/s1.
What are the key properties of ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate is sourced from PubChem (CID 69167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).