diethyl 5-oxopyrrolidine-2,3-dicarboxylate

C10H15NO5 — CID 45272996

IUPACdiethyl 5-oxopyrrolidine-2,3-dicarboxylate
SMILESCCOC(=O)C1CC(=O)NC1C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-3-15-9(13)6-5-7(12)11-8(6)10(14)16-4-2/h6,8H,3-5H2,1-2H3,(H,11,12)
InChIKeyOUZUMLMSKXXOLI-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.38
Rot. Bonds4

About diethyl 5-oxopyrrolidine-2,3-dicarboxylate

diethyl 5-oxopyrrolidine-2,3-dicarboxylate (PubChem CID 45272996) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is diethyl 5-oxopyrrolidine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-oxopyrrolidine-2,3-dicarboxylate
PubChem CID45272996
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namediethyl 5-oxopyrrolidine-2,3-dicarboxylate
SMILESCCOC(=O)C1CC(=O)NC1C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-3-15-9(13)6-5-7(12)11-8(6)10(14)16-4-2/h6,8H,3-5H2,1-2H3,(H,11,12)
InChIKeyOUZUMLMSKXXOLI-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
CID 101129718
diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
ethyl (2S,3R)-2-methyl-6-oxopiperidine-3-carboxylate
CID 125042037
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360333
ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
trans-diethyl (1S,2S)-4-propan-2-ylidenecyclopentane-1,2-dicarboxylate
CID 22215804
diethyl 4-oxocyclohexane-1,2-dicarboxylate
CID 14062941
3-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 175573058
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299

Frequently Asked Questions

What is the IUPAC name of diethyl 5-oxopyrrolidine-2,3-dicarboxylate?
The IUPAC name of diethyl 5-oxopyrrolidine-2,3-dicarboxylate (CID 45272996) is diethyl 5-oxopyrrolidine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-oxopyrrolidine-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-oxopyrrolidine-2,3-dicarboxylate is CCOC(=O)C1CC(=O)NC1C(=O)OCC.
What is the InChIKey of diethyl 5-oxopyrrolidine-2,3-dicarboxylate?
The InChIKey is OUZUMLMSKXXOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-15-9(13)6-5-7(12)11-8(6)10(14)16-4-2/h6,8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of diethyl 5-oxopyrrolidine-2,3-dicarboxylate?
diethyl 5-oxopyrrolidine-2,3-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-oxopyrrolidine-2,3-dicarboxylate is sourced from PubChem (CID 45272996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).