ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate

C13H20N2O5 — CID 24837389

IUPACethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1CCCCC12NC(=O)N(CCO)C2=O
InChIInChI=1S/C13H20N2O5/c1-2-20-10(17)9-5-3-4-6-13(9)11(18)15(7-8-16)12(19)14-13/h9,16H,2-8H2,1H3,(H,14,19)
InChIKeyFBQWUOWRUGPDBH-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.02
Rot. Bonds4

About ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate

ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate (PubChem CID 24837389) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate
PubChem CID24837389
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1CCCCC12NC(=O)N(CCO)C2=O
InChIInChI=1S/C13H20N2O5/c1-2-20-10(17)9-5-3-4-6-13(9)11(18)15(7-8-16)12(19)14-13/h9,16H,2-8H2,1H3,(H,14,19)
InChIKeyFBQWUOWRUGPDBH-UHFFFAOYSA-N
XLogP0.02
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate?
The IUPAC name of ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate (CID 24837389) is ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate is CCOC(=O)C1CCCCC12NC(=O)N(CCO)C2=O.
What is the InChIKey of ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate?
The InChIKey is FBQWUOWRUGPDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-2-20-10(17)9-5-3-4-6-13(9)11(18)15(7-8-16)12(19)14-13/h9,16H,2-8H2,1H3,(H,14,19).
What are the key properties of ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate?
ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxyethyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 24837389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).