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

C10H13N3O4 — CID 54997572

IUPACmethyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-13(4-3-9(15)17-2)10(16)7-5-12-8(14)6-11-7/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyPYXULFJZWJTCRQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.60
Rot. Bonds4

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

methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (PubChem CID 54997572) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
PubChem CID54997572
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-13(4-3-9(15)17-2)10(16)7-5-12-8(14)6-11-7/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyPYXULFJZWJTCRQ-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 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (CID 54997572) is methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The InChIKey is PYXULFJZWJTCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13(4-3-9(15)17-2)10(16)7-5-12-8(14)6-11-7/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate 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 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 54997572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).