[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium

C7H9FN3O4+ — CID 78224694

IUPAC[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium
SMILES[NH3+][C@@H](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)/p+1/t4-/m0/s1
InChIKeyDBWPFHJYSTVBCZ-BYPYZUCNSA-O
MW218.16 g/mol
LogP-2.63
Rot. Bonds3

About [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium

[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium (PubChem CID 78224694) has the molecular formula C7H9FN3O4+ and a molecular weight of 218.16 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium
PubChem CID78224694
Molecular FormulaC7H9FN3O4+
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium
SMILES[NH3+][C@@H](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)/p+1/t4-/m0/s1
InChIKeyDBWPFHJYSTVBCZ-BYPYZUCNSA-O
XLogP-2.63
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-2.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium (CID 78224694) is [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium is [NH3+][C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium?
The InChIKey is DBWPFHJYSTVBCZ-BYPYZUCNSA-O. 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)/p+1/t4-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium?
[(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium has a molecular weight of 218.16 g/mol, XLogP of -2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl]azanium is sourced from PubChem (CID 78224694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).