diethyl 5-oxopyrrolidine-2,2-dicarboxylate

C10H15NO5 — CID 19045188

IUPACdiethyl 5-oxopyrrolidine-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(=O)N1
InChIInChI=1S/C10H15NO5/c1-3-15-8(13)10(9(14)16-4-2)6-5-7(12)11-10/h3-6H2,1-2H3,(H,11,12)
InChIKeyGRAPLOUUXSQOTQ-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.24
Rot. Bonds4

About diethyl 5-oxopyrrolidine-2,2-dicarboxylate

diethyl 5-oxopyrrolidine-2,2-dicarboxylate (PubChem CID 19045188) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is diethyl 5-oxopyrrolidine-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-oxopyrrolidine-2,2-dicarboxylate
PubChem CID19045188
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namediethyl 5-oxopyrrolidine-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(=O)N1
InChIInChI=1S/C10H15NO5/c1-3-15-8(13)10(9(14)16-4-2)6-5-7(12)11-10/h3-6H2,1-2H3,(H,11,12)
InChIKeyGRAPLOUUXSQOTQ-UHFFFAOYSA-N
XLogP-0.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 5-oxopyrrolidine-2,2-dicarboxylate 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-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
CID 98137
Diethyl 3-methyl-5-oxopyrrolidine-2,2-dicarboxylate
CID 228486
Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate
CID 255944
Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate
CID 255945
Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate
CID 255946
Diethyl 3-(2-methylpropyl)-5-oxopyrrolidine-2,2-dicarboxylate
CID 255947
Triethyl 3-ethyl-5-oxopyrrolidine-2,2,4-tricarboxylate
CID 256633
tert-butyl (2S)-2-methyl-5-oxopyrrolidine-2-carboxylate
CID 101222643
tert-butyl (2R)-2-methyl-5-oxopyrrolidine-2-carboxylate
CID 101222644
2-(Methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 154814237
ethyl (2S)-5-oxo-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 56840521
Diethyl 2-acetamido-2-(3-oxopropyl)malonate
CID 4097680

Frequently Asked Questions

What is the IUPAC name of diethyl 5-oxopyrrolidine-2,2-dicarboxylate?
The IUPAC name of diethyl 5-oxopyrrolidine-2,2-dicarboxylate (CID 19045188) is diethyl 5-oxopyrrolidine-2,2-dicarboxylate.
What is the SMILES notation for diethyl 5-oxopyrrolidine-2,2-dicarboxylate?
The canonical SMILES for diethyl 5-oxopyrrolidine-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCC(=O)N1.
What is the InChIKey of diethyl 5-oxopyrrolidine-2,2-dicarboxylate?
The InChIKey is GRAPLOUUXSQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-15-8(13)10(9(14)16-4-2)6-5-7(12)11-10/h3-6H2,1-2H3,(H,11,12).
What are the key properties of diethyl 5-oxopyrrolidine-2,2-dicarboxylate?
diethyl 5-oxopyrrolidine-2,2-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-oxopyrrolidine-2,2-dicarboxylate is sourced from PubChem (CID 19045188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).