methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate

C11H13N3O6 — CID 62954144

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H13N3O6/c1-19-9(16)5-14(6-10(17)20-2)11(18)7-3-13-8(15)4-12-7/h3-4H,5-6H2,1-2H3,(H,13,15)
InChIKeyCGSCSTTWKDLMNL-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.44
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (PubChem CID 62954144) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
PubChem CID62954144
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H13N3O6/c1-19-9(16)5-14(6-10(17)20-2)11(18)7-3-13-8(15)4-12-7/h3-4H,5-6H2,1-2H3,(H,13,15)
InChIKeyCGSCSTTWKDLMNL-UHFFFAOYSA-N
XLogP-1.44
TPSA118.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (CID 62954144) is methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The InChIKey is CGSCSTTWKDLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c1-19-9(16)5-14(6-10(17)20-2)11(18)7-3-13-8(15)4-12-7/h3-4H,5-6H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate has a molecular weight of 283.24 g/mol, XLogP of -1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 62954144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).