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

C11H15N3O4 — CID 54900512

IUPACethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-3-14(7-10(16)18-4-2)11(17)8-5-13-9(15)6-12-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyRQKWWQJUCAOXKD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.20
Rot. Bonds5

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

ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (PubChem CID 54900512) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
PubChem CID54900512
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-3-14(7-10(16)18-4-2)11(17)8-5-13-9(15)6-12-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyRQKWWQJUCAOXKD-UHFFFAOYSA-N
XLogP-0.20
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (CID 54900512) is ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The InChIKey is RQKWWQJUCAOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-14(7-10(16)18-4-2)11(17)8-5-13-9(15)6-12-8/h5-6H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 54900512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).