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

C9H11N3O4 — CID 55138200

IUPACmethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-5(9(15)16-2)12-8(14)6-3-11-7(13)4-10-6/h3-5H,1-2H3,(H,11,13)(H,12,14)
InChIKeyQQMUULUWLNJUSA-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.94
Rot. Bonds3

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

methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (PubChem CID 55138200) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
PubChem CID55138200
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-5(9(15)16-2)12-8(14)6-3-11-7(13)4-10-6/h3-5H,1-2H3,(H,11,13)(H,12,14)
InChIKeyQQMUULUWLNJUSA-UHFFFAOYSA-N
XLogP-0.94
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (CID 55138200) is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The InChIKey is QQMUULUWLNJUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(9(15)16-2)12-8(14)6-3-11-7(13)4-10-6/h3-5H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate has a molecular weight of 225.20 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 55138200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).