2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid

C10H10FN3O6 — CID 70667824

IUPAC2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
SMILESCC(=O)NC(CC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H10FN3O6/c1-4(15)12-6(9(18)19)2-7(16)14-3-5(11)8(17)13-10(14)20/h3,6H,2H2,1H3,(H,12,15)(H,18,19)(H,13,17,20)
InChIKeyCTCCJFRXDAMWFJ-UHFFFAOYSA-N
MW287.20 g/mol
LogP-1.70
Rot. Bonds4

About 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid

2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid (PubChem CID 70667824) has the molecular formula C10H10FN3O6 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
PubChem CID70667824
Molecular FormulaC10H10FN3O6
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC Name2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
SMILESCC(=O)NC(CC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H10FN3O6/c1-4(15)12-6(9(18)19)2-7(16)14-3-5(11)8(17)13-10(14)20/h3,6H,2H2,1H3,(H,12,15)(H,18,19)(H,13,17,20)
InChIKeyCTCCJFRXDAMWFJ-UHFFFAOYSA-N
XLogP-1.70
TPSA138.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]butanedioic acid
CID 56673391
2-amino-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)butanoic acid
CID 289646
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]butanedioic acid
CID 56666469
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]butanedioic acid
CID 56676711
1-(3'-Amino-3'-carboxypropyl)uracil
CID 129661
(2S)-2-amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 3246492
3-(Amino-3-carboxypropyl)uracil
CID 21924808
gamma-(n1-Uracilyl)-alpha-aminobutyric acid
CID 53462120
2-[[2-Amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoyl]amino]-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
CID 58503432
2-(Dodecanoylamino)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
CID 58503441
3-Amino-4-[[1-carboxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 58503442
Methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate
CID 58503444

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid (CID 70667824) is 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid is CC(=O)NC(CC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
The InChIKey is CTCCJFRXDAMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O6/c1-4(15)12-6(9(18)19)2-7(16)14-3-5(11)8(17)13-10(14)20/h3,6H,2H2,1H3,(H,12,15)(H,18,19)(H,13,17,20).
What are the key properties of 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid?
2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid has a molecular weight of 287.20 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 70667824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).