(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate

C13H13FN4O8 — CID 138748356

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate
SMILESO=C(CCOC(=O)NCn1cc(F)c(=O)[nH]c1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H13FN4O8/c14-7-5-17(12(23)16-11(7)22)6-15-13(24)25-4-3-10(21)26-18-8(19)1-2-9(18)20/h5H,1-4,6H2,(H,15,24)(H,16,22,23)
InChIKeyHRUKBYVLUQYAJG-UHFFFAOYSA-N
MW372.27 g/mol
LogP-1.64
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate (PubChem CID 138748356) has the molecular formula C13H13FN4O8 and a molecular weight of 372.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate
PubChem CID138748356
Molecular FormulaC13H13FN4O8
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate
SMILESO=C(CCOC(=O)NCn1cc(F)c(=O)[nH]c1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H13FN4O8/c14-7-5-17(12(23)16-11(7)22)6-15-13(24)25-4-3-10(21)26-18-8(19)1-2-9(18)20/h5H,1-4,6H2,(H,15,24)(H,16,22,23)
InChIKeyHRUKBYVLUQYAJG-UHFFFAOYSA-N
XLogP-1.64
TPSA156.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoylamino]ethyldisulfanyl]ethylamino]-4-oxobutanoate
CID 138748067
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
CID 70581549
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
CID 121461121
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane
CID 178089902
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 3-[[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamoyloxy]propanoate
CID 172949814
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-methylpropoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162349007
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 90179191

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate (CID 138748356) is (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate is O=C(CCOC(=O)NCn1cc(F)c(=O)[nH]c1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate?
The InChIKey is HRUKBYVLUQYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O8/c14-7-5-17(12(23)16-11(7)22)6-15-13(24)25-4-3-10(21)26-18-8(19)1-2-9(18)20/h5H,1-4,6H2,(H,15,24)(H,16,22,23).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate has a molecular weight of 372.27 g/mol, XLogP of -1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate is sourced from PubChem (CID 138748356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).