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

C12H20N4O4 — CID 62474663

IUPAC8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCC(N)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C12H20N4O4/c1-20-7-2-8(13)9(17)16-5-3-12(4-6-16)10(18)14-11(19)15-12/h8H,2-7,13H2,1H3,(H2,14,15,18,19)
InChIKeyLXIBOBRJMVFXGP-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.45
Rot. Bonds4

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

8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62474663) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62474663
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCC(N)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C12H20N4O4/c1-20-7-2-8(13)9(17)16-5-3-12(4-6-16)10(18)14-11(19)15-12/h8H,2-7,13H2,1H3,(H2,14,15,18,19)
InChIKeyLXIBOBRJMVFXGP-UHFFFAOYSA-N
XLogP-1.45
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
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 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62474663) is 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCC(N)C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LXIBOBRJMVFXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-20-7-2-8(13)9(17)16-5-3-12(4-6-16)10(18)14-11(19)15-12/h8H,2-7,13H2,1H3,(H2,14,15,18,19).
What are the key properties of 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-4-methoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62474663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).