2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C11H18N4O3 — CID 131890887

IUPAC2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCOCC(=O)N1CCC2(CC1)N=C(N)NC2=O
InChIInChI=1S/C11H18N4O3/c1-2-18-7-8(16)15-5-3-11(4-6-15)9(17)13-10(12)14-11/h2-7H2,1H3,(H3,12,13,14,17)
InChIKeyUARAGCRXZLDYHV-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.17
Rot. Bonds3

About 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131890887) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID131890887
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCOCC(=O)N1CCC2(CC1)N=C(N)NC2=O
InChIInChI=1S/C11H18N4O3/c1-2-18-7-8(16)15-5-3-11(4-6-15)9(17)13-10(12)14-11/h2-7H2,1H3,(H3,12,13,14,17)
InChIKeyUARAGCRXZLDYHV-UHFFFAOYSA-N
XLogP-1.17
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
2-Amino-5-methyl-5-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)imidazol-4-one
CID 57844241
2-Amino-5-methyl-5-(2-methylpropyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-one
CID 57844420
Methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 129173240
2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 47000215
2-amino-N,N-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 83266598
2-(Dimethylamino)-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124212846
2-(dimethylamino)-8-[(2S)-tetrahydrofuran-2-ylcarbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 129622230
2-(dimethylamino)-8-(tetrahydro-2H-pyran-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131903082
2-(Dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131916961
2-(dimethylamino)-8-{2-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 132424488
8-Ethyl-2-(2-methoxyethylimino)-1,3,8-triazaspiro[4.5]decan-4-one
CID 136306875

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131890887) is 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCOCC(=O)N1CCC2(CC1)N=C(N)NC2=O.
What is the InChIKey of 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is UARAGCRXZLDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-18-7-8(16)15-5-3-11(4-6-15)9(17)13-10(12)14-11/h2-7H2,1H3,(H3,12,13,14,17).
What are the key properties of 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 254.29 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131890887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).