[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate

C17H18FN3O5 — CID 7873242

IUPAC[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H18FN3O5/c18-12-7-3-2-6-11(12)14(23)26-10-13(22)20-21-15(24)17(19-16(21)25)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,19,25)(H,20,22)
InChIKeyQVPWSVBPWWPURX-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.27
Rot. Bonds4

About [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate (PubChem CID 7873242) has the molecular formula C17H18FN3O5 and a molecular weight of 363.35 g/mol. Its IUPAC name is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
PubChem CID7873242
Molecular FormulaC17H18FN3O5
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H18FN3O5/c18-12-7-3-2-6-11(12)14(23)26-10-13(22)20-21-15(24)17(19-16(21)25)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,19,25)(H,20,22)
InChIKeyQVPWSVBPWWPURX-UHFFFAOYSA-N
XLogP1.27
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526467
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] benzoate
CID 7874358
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 16533736
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525387
4-O-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239618
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 7717000
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523744
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579141
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767775
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877843

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate (CID 7873242) is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is QVPWSVBPWWPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5/c18-12-7-3-2-6-11(12)14(23)26-10-13(22)20-21-15(24)17(19-16(21)25)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,19,25)(H,20,22).
What are the key properties of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 363.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 7873242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).