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

C10H13N3O4 — CID 54998417

IUPACmethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-3-13(6-9(15)17-2)10(16)7-4-12-8(14)5-11-7/h4-5H,3,6H2,1-2H3,(H,12,14)
InChIKeyYDEUOAWPVFXFBJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.60
Rot. Bonds4

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

methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (PubChem CID 54998417) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
PubChem CID54998417
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-3-13(6-9(15)17-2)10(16)7-4-12-8(14)5-11-7/h4-5H,3,6H2,1-2H3,(H,12,14)
InChIKeyYDEUOAWPVFXFBJ-UHFFFAOYSA-N
XLogP-0.60
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (CID 54998417) is methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The InChIKey is YDEUOAWPVFXFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-13(6-9(15)17-2)10(16)7-4-12-8(14)5-11-7/h4-5H,3,6H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate has a molecular weight of 239.23 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 54998417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).