ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate

C15H26N2O4 — CID 65301636

IUPACethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN1C(=O)CC(C)(C)C1=O)C(=O)OCC
InChIInChI=1S/C15H26N2O4/c1-6-16-15(5,13(20)21-7-2)8-9-17-11(18)10-14(3,4)12(17)19/h16H,6-10H2,1-5H3
InChIKeyAREOAFQTHPZOLJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.09
Rot. Bonds7

About ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate

ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate (PubChem CID 65301636) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate
PubChem CID65301636
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN1C(=O)CC(C)(C)C1=O)C(=O)OCC
InChIInChI=1S/C15H26N2O4/c1-6-16-15(5,13(20)21-7-2)8-9-17-11(18)10-14(3,4)12(17)19/h16H,6-10H2,1-5H3
InChIKeyAREOAFQTHPZOLJ-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate 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

4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 65301884
methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate
CID 65301393
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 65301490
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106708431
ethyl 2-amino-2-cyclopropyl-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoate
CID 65301588
ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
CID 64837571
ethyl 6-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylhexanoate
CID 79177873
ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62329860
1-(2-amino-2-methylpropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 115303861
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 65301376
1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301274

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate (CID 65301636) is ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCN1C(=O)CC(C)(C)C1=O)C(=O)OCC.
What is the InChIKey of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The InChIKey is AREOAFQTHPZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-6-16-15(5,13(20)21-7-2)8-9-17-11(18)10-14(3,4)12(17)19/h16H,6-10H2,1-5H3.
What are the key properties of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate has a molecular weight of 298.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 65301636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).