8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H22N4O3 — CID 79814900

IUPAC8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCC(N)(CC)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H22N4O3/c1-3-12(14,4-2)10(19)17-7-5-13(6-8-17)9(18)15-11(20)16-13/h3-8,14H2,1-2H3,(H2,15,16,18,20)
InChIKeyLFARALLZWXZCRA-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.30
Rot. Bonds3

About 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 79814900) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID79814900
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCC(N)(CC)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H22N4O3/c1-3-12(14,4-2)10(19)17-7-5-13(6-8-17)9(18)15-11(20)16-13/h3-8,14H2,1-2H3,(H2,15,16,18,20)
InChIKeyLFARALLZWXZCRA-UHFFFAOYSA-N
XLogP-0.30
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 79814900) is 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCC(N)(CC)C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LFARALLZWXZCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-12(14,4-2)10(19)17-7-5-13(6-8-17)9(18)15-11(20)16-13/h3-8,14H2,1-2H3,(H2,15,16,18,20).
What are the key properties of 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 79814900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).