3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid

C9H9FN2O4 — CID 20704008

IUPAC3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
SMILESO=C1NC(=O)C2(N1)C(F)CC1C(C(=O)O)C12
InChIInChI=1S/C9H9FN2O4/c10-3-1-2-4(6(13)14)5(2)9(3)7(15)11-8(16)12-9/h2-5H,1H2,(H,13,14)(H2,11,12,15,16)
InChIKeyWCEOOOOTSBOQDC-UHFFFAOYSA-N
MW228.18 g/mol
LogP-0.75
Rot. Bonds1

About 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid

3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid (PubChem CID 20704008) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
PubChem CID20704008
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
SMILESO=C1NC(=O)C2(N1)C(F)CC1C(C(=O)O)C12
InChIInChI=1S/C9H9FN2O4/c10-3-1-2-4(6(13)14)5(2)9(3)7(15)11-8(16)12-9/h2-5H,1H2,(H,13,14)(H2,11,12,15,16)
InChIKeyWCEOOOOTSBOQDC-UHFFFAOYSA-N
XLogP-0.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The IUPAC name of 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid (CID 20704008) is 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid.
What is the SMILES notation for 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The canonical SMILES for 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid is O=C1NC(=O)C2(N1)C(F)CC1C(C(=O)O)C12.
What is the InChIKey of 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The InChIKey is WCEOOOOTSBOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-3-1-2-4(6(13)14)5(2)9(3)7(15)11-8(16)12-9/h2-5H,1H2,(H,13,14)(H2,11,12,15,16).
What are the key properties of 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid has a molecular weight of 228.18 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid is sourced from PubChem (CID 20704008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).