2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione

C13H22N2O3 — CID 64539399

IUPAC2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCC(O)C(N)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-9(16)10(14)8-15-11(17)7-13(12(15)18)5-3-2-4-6-13/h9-10,16H,2-8,14H2,1H3
InChIKeyGBPVFDZWJGPQMH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.40
Rot. Bonds3

About 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 64539399) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID64539399
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCC(O)C(N)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-9(16)10(14)8-15-11(17)7-13(12(15)18)5-3-2-4-6-13/h9-10,16H,2-8,14H2,1H3
InChIKeyGBPVFDZWJGPQMH-UHFFFAOYSA-N
XLogP0.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-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

2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565
2-(3-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 62667991
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 125485585
2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
CID 95173000
2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60585200
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
CID 107835367
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione (CID 64539399) is 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione is CC(O)C(N)CN1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is GBPVFDZWJGPQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(16)10(14)8-15-11(17)7-13(12(15)18)5-3-2-4-6-13/h9-10,16H,2-8,14H2,1H3.
What are the key properties of 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 254.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 64539399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).