4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid

C9H10FN3O5 — CID 88781739

IUPAC4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)n1ccc(=O)n(F)c1=O
InChIInChI=1S/C9H10FN3O5/c10-13-6(14)3-5-12(9(13)18)8(17)11-4-1-2-7(15)16/h3,5H,1-2,4H2,(H,11,17)(H,15,16)
InChIKeyDVNCDBOXYLGJHU-UHFFFAOYSA-N
MW259.19 g/mol
LogP-0.83
Rot. Bonds4

About 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid

4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid (PubChem CID 88781739) has the molecular formula C9H10FN3O5 and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid
PubChem CID88781739
Molecular FormulaC9H10FN3O5
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)n1ccc(=O)n(F)c1=O
InChIInChI=1S/C9H10FN3O5/c10-13-6(14)3-5-12(9(13)18)8(17)11-4-1-2-7(15)16/h3,5H,1-2,4H2,(H,11,17)(H,15,16)
InChIKeyDVNCDBOXYLGJHU-UHFFFAOYSA-N
XLogP-0.83
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid (CID 88781739) is 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)n1ccc(=O)n(F)c1=O.
What is the InChIKey of 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid?
The InChIKey is DVNCDBOXYLGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O5/c10-13-6(14)3-5-12(9(13)18)8(17)11-4-1-2-7(15)16/h3,5H,1-2,4H2,(H,11,17)(H,15,16).
What are the key properties of 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid?
4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid has a molecular weight of 259.19 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 88781739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).