3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione

C10H16N2O4 — CID 106297584

IUPAC3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2(CO)CCOCC2)C(=O)N1
InChIInChI=1S/C10H16N2O4/c13-6-10(1-3-16-4-2-10)12-7-5-8(14)11-9(7)15/h7,12-13H,1-6H2,(H,11,14,15)
InChIKeyHKBQBONXOSMBEM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.47
Rot. Bonds3

About 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione

3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione (PubChem CID 106297584) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione
PubChem CID106297584
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2(CO)CCOCC2)C(=O)N1
InChIInChI=1S/C10H16N2O4/c13-6-10(1-3-16-4-2-10)12-7-5-8(14)11-9(7)15/h7,12-13H,1-6H2,(H,11,14,15)
InChIKeyHKBQBONXOSMBEM-UHFFFAOYSA-N
XLogP-1.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione (CID 106297584) is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione is O=C1CC(NC2(CO)CCOCC2)C(=O)N1.
What is the InChIKey of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is HKBQBONXOSMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-6-10(1-3-16-4-2-10)12-7-5-8(14)11-9(7)15/h7,12-13H,1-6H2,(H,11,14,15).
What are the key properties of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione?
3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106297584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).