2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

C6H7FN2O4 — CID 81297875

IUPAC2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCN1CC(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C6H7FN2O4/c1-8-2-3(10)9(6(8)13)4(7)5(11)12/h4H,2H2,1H3,(H,11,12)
InChIKeyFGIBSSOXHMNGKN-UHFFFAOYSA-N
MW190.13 g/mol
LogP-0.74
Rot. Bonds2

About 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid (PubChem CID 81297875) has the molecular formula C6H7FN2O4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
PubChem CID81297875
Molecular FormulaC6H7FN2O4
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Name2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCN1CC(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C6H7FN2O4/c1-8-2-3(10)9(6(8)13)4(7)5(11)12/h4H,2H2,1H3,(H,11,12)
InChIKeyFGIBSSOXHMNGKN-UHFFFAOYSA-N
XLogP-0.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid (CID 81297875) is 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid is CN1CC(=O)N(C(F)C(=O)O)C1=O.
What is the InChIKey of 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The InChIKey is FGIBSSOXHMNGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O4/c1-8-2-3(10)9(6(8)13)4(7)5(11)12/h4H,2H2,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid has a molecular weight of 190.13 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 81297875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).