ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate

C13H22N2O4 — CID 78357975

IUPACethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
SMILESCCOC(=O)CC1N=C(OC)[C@@H](C(C)C)N=C1OC
InChIInChI=1S/C13H22N2O4/c1-6-19-10(16)7-9-12(17-4)15-11(8(2)3)13(14-9)18-5/h8-9,11H,6-7H2,1-5H3/t9?,11-/m1/s1
InChIKeyUCQCSFFJFJBLQE-HCCKASOXSA-N
MW270.33 g/mol
LogP1.44
Rot. Bonds4

About ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate

ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate (PubChem CID 78357975) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
PubChem CID78357975
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
SMILESCCOC(=O)CC1N=C(OC)[C@@H](C(C)C)N=C1OC
InChIInChI=1S/C13H22N2O4/c1-6-19-10(16)7-9-12(17-4)15-11(8(2)3)13(14-9)18-5/h8-9,11H,6-7H2,1-5H3/t9?,11-/m1/s1
InChIKeyUCQCSFFJFJBLQE-HCCKASOXSA-N
XLogP1.44
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate?
The IUPAC name of ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate (CID 78357975) is ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate is CCOC(=O)CC1N=C(OC)[C@@H](C(C)C)N=C1OC.
What is the InChIKey of ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate?
The InChIKey is UCQCSFFJFJBLQE-HCCKASOXSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-6-19-10(16)7-9-12(17-4)15-11(8(2)3)13(14-9)18-5/h8-9,11H,6-7H2,1-5H3/t9?,11-/m1/s1.
What are the key properties of ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate?
ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate has a molecular weight of 270.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate is sourced from PubChem (CID 78357975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).