ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C12H19N3O4 — CID 20622683

IUPACethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC
InChIInChI=1S/C12H19N3O4/c1-3-15-10(17)13-9(16)12(15)5-7-14(8-6-12)11(18)19-4-2/h3-8H2,1-2H3,(H,13,16,17)
InChIKeyMPGASRXCCKJOEU-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.55
Rot. Bonds2

About ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 20622683) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID20622683
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC
InChIInChI=1S/C12H19N3O4/c1-3-15-10(17)13-9(16)12(15)5-7-14(8-6-12)11(18)19-4-2/h3-8H2,1-2H3,(H,13,16,17)
InChIKeyMPGASRXCCKJOEU-UHFFFAOYSA-N
XLogP0.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 3629994
Tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.5]decane-7-carboxylate
CID 42614218
3-Ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759421
8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30545070
8-Isobutyryl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109420
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 272002
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931314
3,8-Dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097484
3-Ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097487
AC1Mtqjd
CID 3653971
1-(2-Methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759329

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CID 20622683) is ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC.
What is the InChIKey of ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is MPGASRXCCKJOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-15-10(17)13-9(16)12(15)5-7-14(8-6-12)11(18)19-4-2/h3-8H2,1-2H3,(H,13,16,17).
What are the key properties of ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 20622683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).