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

C9H11N3O4 — CID 60817245

IUPACethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-2-16-8(14)5-12-9(15)6-3-11-7(13)4-10-6/h3-4H,2,5H2,1H3,(H,11,13)(H,12,15)
InChIKeyGKGWGBNVELQNLP-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.94
Rot. Bonds4

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

ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (PubChem CID 60817245) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
PubChem CID60817245
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Nameethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-2-16-8(14)5-12-9(15)6-3-11-7(13)4-10-6/h3-4H,2,5H2,1H3,(H,11,13)(H,12,15)
InChIKeyGKGWGBNVELQNLP-UHFFFAOYSA-N
XLogP-0.94
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (CID 60817245) is ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The InChIKey is GKGWGBNVELQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-16-8(14)5-12-9(15)6-3-11-7(13)4-10-6/h3-4H,2,5H2,1H3,(H,11,13)(H,12,15).
What are the key properties of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate has a molecular weight of 225.20 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 60817245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).