1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione

C11H20N2O3 — CID 112589216

IUPAC1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCOC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-6-5-12-8-7-9(14)13(4)10(8)15/h8,12H,5-7H2,1-4H3
InChIKeyASLHNIQTUIVACI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

About 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione

1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione (PubChem CID 112589216) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
PubChem CID112589216
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCOC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-6-5-12-8-7-9(14)13(4)10(8)15/h8,12H,5-7H2,1-4H3
InChIKeyASLHNIQTUIVACI-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]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 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione (CID 112589216) is 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione is CN1C(=O)CC(NCCOC(C)(C)C)C1=O.
What is the InChIKey of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione?
The InChIKey is ASLHNIQTUIVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-6-5-12-8-7-9(14)13(4)10(8)15/h8,12H,5-7H2,1-4H3.
What are the key properties of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione?
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 112589216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).