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

C9H10FN3O5 — CID 58503440

IUPAC2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10FN3O5/c10-4-3-13(9(18)12-7(4)15)6(14)2-1-5(11)8(16)17/h3,5H,1-2,11H2,(H,16,17)(H,12,15,18)
InChIKeyLRIKPDBKXCRPOC-UHFFFAOYSA-N
MW259.19 g/mol
LogP-1.49
Rot. Bonds4

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

2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid (PubChem CID 58503440) has the molecular formula C9H10FN3O5 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
PubChem CID58503440
Molecular FormulaC9H10FN3O5
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10FN3O5/c10-4-3-13(9(18)12-7(4)15)6(14)2-1-5(11)8(16)17/h3,5H,1-2,11H2,(H,16,17)(H,12,15,18)
InChIKeyLRIKPDBKXCRPOC-UHFFFAOYSA-N
XLogP-1.49
TPSA135.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid (CID 58503440) is 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid is NC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The InChIKey is LRIKPDBKXCRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O5/c10-4-3-13(9(18)12-7(4)15)6(14)2-1-5(11)8(16)17/h3,5H,1-2,11H2,(H,16,17)(H,12,15,18).
What are the key properties of 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid has a molecular weight of 259.19 g/mol, XLogP of -1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 58503440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).