methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate

C11H15N3O5 — CID 65444218

IUPACmethyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate
SMILESCOC(=O)C(Cn1ccn(C)c(=O)c1=O)NC(C)=O
InChIInChI=1S/C11H15N3O5/c1-7(15)12-8(11(18)19-3)6-14-5-4-13(2)9(16)10(14)17/h4-5,8H,6H2,1-3H3,(H,12,15)
InChIKeyRTBFXANVHCHDLP-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.78
Rot. Bonds4

About methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate

methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate (PubChem CID 65444218) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate
PubChem CID65444218
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate
SMILESCOC(=O)C(Cn1ccn(C)c(=O)c1=O)NC(C)=O
InChIInChI=1S/C11H15N3O5/c1-7(15)12-8(11(18)19-3)6-14-5-4-13(2)9(16)10(14)17/h4-5,8H,6H2,1-3H3,(H,12,15)
InChIKeyRTBFXANVHCHDLP-UHFFFAOYSA-N
XLogP-1.78
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate
CID 65441441
2-acetamido-3-(3-methyl-2-oxoimidazol-1-yl)propanoic acid
CID 80579282
1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
CID 62928561
methyl 2-acetamido-3-(2-cyanopyrrol-1-yl)propanoate
CID 114650527
methyl 2-acetamido-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 65441237
methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
CID 62929432
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-amino-3-(3-methyl-2-sulfanylideneimidazol-1-yl)propanoate
CID 90675791
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 65442025

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate (CID 65444218) is methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate is COC(=O)C(Cn1ccn(C)c(=O)c1=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate?
The InChIKey is RTBFXANVHCHDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(15)12-8(11(18)19-3)6-14-5-4-13(2)9(16)10(14)17/h4-5,8H,6H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate?
methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate has a molecular weight of 269.26 g/mol, XLogP of -1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate is sourced from PubChem (CID 65444218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).