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

C9H11FN2O4 — CID 63559384

IUPAC5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c10-6-5-12(9(16)11-8(6)15)4-2-1-3-7(13)14/h5H,1-4H2,(H,13,14)(H,11,15,16)
InChIKeyKJUZVITYILKQOS-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.07
Rot. Bonds5

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

5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid (PubChem CID 63559384) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid
PubChem CID63559384
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c10-6-5-12(9(16)11-8(6)15)4-2-1-3-7(13)14/h5H,1-4H2,(H,13,14)(H,11,15,16)
InChIKeyKJUZVITYILKQOS-UHFFFAOYSA-N
XLogP-0.07
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid (CID 63559384) is 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid is O=C(O)CCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The InChIKey is KJUZVITYILKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-6-5-12(9(16)11-8(6)15)4-2-1-3-7(13)14/h5H,1-4H2,(H,13,14)(H,11,15,16).
What are the key properties of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid?
5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid has a molecular weight of 230.19 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 63559384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).