2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid

C7H7FN2O4 — CID 155895138

IUPAC2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
SMILESO=C1NC(=O)C2(CC(F)(C(=O)O)C2)N1
InChIInChI=1S/C7H7FN2O4/c8-6(4(12)13)1-7(2-6)3(11)9-5(14)10-7/h1-2H2,(H,12,13)(H2,9,10,11,14)
InChIKeyFXKOCVKBUAWROZ-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.85
Rot. Bonds1

About 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid

2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid (PubChem CID 155895138) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
PubChem CID155895138
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
SMILESO=C1NC(=O)C2(CC(F)(C(=O)O)C2)N1
InChIInChI=1S/C7H7FN2O4/c8-6(4(12)13)1-7(2-6)3(11)9-5(14)10-7/h1-2H2,(H,12,13)(H2,9,10,11,14)
InChIKeyFXKOCVKBUAWROZ-UHFFFAOYSA-N
XLogP-0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
CID 44552395
1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
CID 68564691
2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
CID 19811070
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582
1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 66728930
3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
CID 64894748
2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate
CID 78445633
2-(hydroxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione;2-(iodomethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 157073230
8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098584
8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098573
8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63122069
8-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118281748

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid (CID 155895138) is 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid is O=C1NC(=O)C2(CC(F)(C(=O)O)C2)N1.
What is the InChIKey of 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is FXKOCVKBUAWROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c8-6(4(12)13)1-7(2-6)3(11)9-5(14)10-7/h1-2H2,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid?
2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 202.14 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 155895138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).