2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid

C7H8FN3O4 — CID 1299

IUPAC2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESNC(Cn1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)
InChIKeyDBWPFHJYSTVBCZ-UHFFFAOYSA-N
MW217.16 g/mol
LogP-1.91
Rot. Bonds3

About 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid

2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 1299) has the molecular formula C7H8FN3O4 and a molecular weight of 217.16 g/mol. Its IUPAC name is 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
PubChem CID1299
Molecular FormulaC7H8FN3O4
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESNC(Cn1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)
InChIKeyDBWPFHJYSTVBCZ-UHFFFAOYSA-N
XLogP-1.91
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid (CID 1299) is 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid is NC(Cn1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is DBWPFHJYSTVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15).
What are the key properties of 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid?
2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 217.16 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 1299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).