2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate

C15H22FN3O6 — CID 70522905

IUPAC2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
SMILESCOCCOC(=O)C(CC(C)C)(NC(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H22FN3O6/c1-9(2)7-15(18-10(3)20,13(22)25-6-5-24-4)19-8-11(16)12(21)17-14(19)23/h8-9H,5-7H2,1-4H3,(H,18,20)(H,17,21,23)
InChIKeyQJMAUWPCANVHLL-UHFFFAOYSA-N
MW359.35 g/mol
LogP-0.30
Rot. Bonds8

About 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate

2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate (PubChem CID 70522905) has the molecular formula C15H22FN3O6 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
PubChem CID70522905
Molecular FormulaC15H22FN3O6
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
SMILESCOCCOC(=O)C(CC(C)C)(NC(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H22FN3O6/c1-9(2)7-15(18-10(3)20,13(22)25-6-5-24-4)19-8-11(16)12(21)17-14(19)23/h8-9H,5-7H2,1-4H3,(H,18,20)(H,17,21,23)
InChIKeyQJMAUWPCANVHLL-UHFFFAOYSA-N
XLogP-0.30
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
The IUPAC name of 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate (CID 70522905) is 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate.
What is the SMILES notation for 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
The canonical SMILES for 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate is COCCOC(=O)C(CC(C)C)(NC(C)=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
The InChIKey is QJMAUWPCANVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O6/c1-9(2)7-15(18-10(3)20,13(22)25-6-5-24-4)19-8-11(16)12(21)17-14(19)23/h8-9H,5-7H2,1-4H3,(H,18,20)(H,17,21,23).
What are the key properties of 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate?
2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate has a molecular weight of 359.35 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate is sourced from PubChem (CID 70522905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).