methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate

C12H16N2O4 — CID 606437

IUPACmethyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
SMILESCOC(=O)CCc1cnc(CCC(=O)OC)cn1
InChIInChI=1S/C12H16N2O4/c1-17-11(15)5-3-9-7-14-10(8-13-9)4-6-12(16)18-2/h7-8H,3-6H2,1-2H3
InChIKeyCAVDNRICPLKYEH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.69
Rot. Bonds6

About methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate

methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate (PubChem CID 606437) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
PubChem CID606437
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
SMILESCOC(=O)CCc1cnc(CCC(=O)OC)cn1
InChIInChI=1S/C12H16N2O4/c1-17-11(15)5-3-9-7-14-10(8-13-9)4-6-12(16)18-2/h7-8H,3-6H2,1-2H3
InChIKeyCAVDNRICPLKYEH-UHFFFAOYSA-N
XLogP0.69
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-chloropyrimidin-5-yl)propanoate
CID 146344248
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
methyl 3-(1,3-oxazol-2-yl)propanoate
CID 148550350
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-(cyclopropen-1-yl)propanoate
CID 159965335
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate
CID 58898126
methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
CID 86147549
methyl 3-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]propanoate
CID 103059937
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-[4-[(5-chloropyrazin-2-yl)methylcarbamoylamino]phenyl]propanoate
CID 127266342
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate?
The IUPAC name of methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate (CID 606437) is methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate?
The canonical SMILES for methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate is COC(=O)CCc1cnc(CCC(=O)OC)cn1.
What is the InChIKey of methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate?
The InChIKey is CAVDNRICPLKYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11(15)5-3-9-7-14-10(8-13-9)4-6-12(16)18-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate?
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate has a molecular weight of 252.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate is sourced from PubChem (CID 606437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).