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

C10H12FN3O5 — CID 19968649

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid
SMILESCC(=O)CNC(C)(C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O5/c1-5(15)3-12-10(2,8(17)18)14-4-6(11)7(16)13-9(14)19/h4,12H,3H2,1-2H3,(H,17,18)(H,13,16,19)
InChIKeyGXPJVUZBBDPKQB-UHFFFAOYSA-N
MW273.22 g/mol
LogP-1.39
Rot. Bonds5

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid (PubChem CID 19968649) has the molecular formula C10H12FN3O5 and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid
PubChem CID19968649
Molecular FormulaC10H12FN3O5
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid
SMILESCC(=O)CNC(C)(C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O5/c1-5(15)3-12-10(2,8(17)18)14-4-6(11)7(16)13-9(14)19/h4,12H,3H2,1-2H3,(H,17,18)(H,13,16,19)
InChIKeyGXPJVUZBBDPKQB-UHFFFAOYSA-N
XLogP-1.39
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid (CID 19968649) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid is CC(=O)CNC(C)(C(=O)O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid?
The InChIKey is GXPJVUZBBDPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5/c1-5(15)3-12-10(2,8(17)18)14-4-6(11)7(16)13-9(14)19/h4,12H,3H2,1-2H3,(H,17,18)(H,13,16,19).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid has a molecular weight of 273.22 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid is sourced from PubChem (CID 19968649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).