ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C12H18N2O4 — CID 2622537

IUPACethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C12H18N2O4/c1-2-18-9(15)8-14-10(16)12(13-11(14)17)6-4-3-5-7-12/h2-8H2,1H3,(H,13,17)
InChIKeyFFFXKVOTLKODRY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.80
Rot. Bonds3

About ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 2622537) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID2622537
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C12H18N2O4/c1-2-18-9(15)8-14-10(16)12(13-11(14)17)6-4-3-5-7-12/h2-8H2,1H3,(H,13,17)
InChIKeyFFFXKVOTLKODRY-UHFFFAOYSA-N
XLogP0.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 2622537) is ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CCOC(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is FFFXKVOTLKODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-18-9(15)8-14-10(16)12(13-11(14)17)6-4-3-5-7-12/h2-8H2,1H3,(H,13,17).
What are the key properties of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 2622537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).