2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid

C6H9FN2O3 — CID 81298014

IUPAC2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid
SMILESCN1CCN(C(F)C(=O)O)C1=O
InChIInChI=1S/C6H9FN2O3/c1-8-2-3-9(6(8)12)4(7)5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyWRGWXPMARAEFID-UHFFFAOYSA-N
MW176.15 g/mol
LogP-0.27
Rot. Bonds2

About 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid

2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid (PubChem CID 81298014) has the molecular formula C6H9FN2O3 and a molecular weight of 176.15 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid
PubChem CID81298014
Molecular FormulaC6H9FN2O3
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Name2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid
SMILESCN1CCN(C(F)C(=O)O)C1=O
InChIInChI=1S/C6H9FN2O3/c1-8-2-3-9(6(8)12)4(7)5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyWRGWXPMARAEFID-UHFFFAOYSA-N
XLogP-0.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-oxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid (CID 81298014) is 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid is CN1CCN(C(F)C(=O)O)C1=O.
What is the InChIKey of 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid?
The InChIKey is WRGWXPMARAEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O3/c1-8-2-3-9(6(8)12)4(7)5(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid?
2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid has a molecular weight of 176.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 81298014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).