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

C10H13N3O4 — CID 54960649

IUPACethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-3-17-10(16)6(2)13-9(15)7-4-12-8(14)5-11-7/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyVEFMGTOZOZTOHH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.55
Rot. Bonds4

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

ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (PubChem CID 54960649) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
PubChem CID54960649
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Nameethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-3-17-10(16)6(2)13-9(15)7-4-12-8(14)5-11-7/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyVEFMGTOZOZTOHH-UHFFFAOYSA-N
XLogP-0.55
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (CID 54960649) is ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The InChIKey is VEFMGTOZOZTOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-17-10(16)6(2)13-9(15)7-4-12-8(14)5-11-7/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate has a molecular weight of 239.23 g/mol, XLogP of -0.55, 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]propanoate is sourced from PubChem (CID 54960649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).