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

C11H18N4O3 — CID 54873031

IUPAC8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNCCCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H18N4O3/c12-5-1-2-8(16)15-6-3-11(4-7-15)9(17)13-10(18)14-11/h1-7,12H2,(H2,13,14,17,18)
InChIKeyPPONWAHPWSPTDH-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.07
Rot. Bonds3

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

8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 54873031) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID54873031
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNCCCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H18N4O3/c12-5-1-2-8(16)15-6-3-11(4-7-15)9(17)13-10(18)14-11/h1-7,12H2,(H2,13,14,17,18)
InChIKeyPPONWAHPWSPTDH-UHFFFAOYSA-N
XLogP-1.07
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81171740
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
8-[4-(4-fluorophenoxy)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56807566
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56807611
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458
8-[3-(1,2,4-triazol-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60713024
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166398495

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 54873031) is 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is NCCCC(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PPONWAHPWSPTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c12-5-1-2-8(16)15-6-3-11(4-7-15)9(17)13-10(18)14-11/h1-7,12H2,(H2,13,14,17,18).
What are the key properties of 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 54873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).