2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid

C8H8FN3O5 — CID 53328705

IUPAC2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H8FN3O5/c1-11(3-5(13)14)8(17)12-2-4(9)6(15)10-7(12)16/h2H,3H2,1H3,(H,13,14)(H,10,15,16)
InChIKeyYYKYULBAZPVNKG-UHFFFAOYSA-N
MW245.17 g/mol
LogP-1.34
Rot. Bonds2

About 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid

2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid (PubChem CID 53328705) has the molecular formula C8H8FN3O5 and a molecular weight of 245.17 g/mol. Its IUPAC name is 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
PubChem CID53328705
Molecular FormulaC8H8FN3O5
Molecular Weight245.17 g/mol
Exact Mass245.04
IUPAC Name2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H8FN3O5/c1-11(3-5(13)14)8(17)12-2-4(9)6(15)10-7(12)16/h2H,3H2,1H3,(H,13,14)(H,10,15,16)
InChIKeyYYKYULBAZPVNKG-UHFFFAOYSA-N
XLogP-1.34
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid (CID 53328705) is 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is YYKYULBAZPVNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O5/c1-11(3-5(13)14)8(17)12-2-4(9)6(15)10-7(12)16/h2H,3H2,1H3,(H,13,14)(H,10,15,16).
What are the key properties of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 245.17 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 53328705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).