diethyl pyrrolidine-2,5-dicarboxylate

C10H17NO4 — CID 13228037

IUPACdiethyl pyrrolidine-2,5-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)N1
InChIInChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyXDYNGPAGOCWBMK-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.23
Rot. Bonds4

About diethyl pyrrolidine-2,5-dicarboxylate

diethyl pyrrolidine-2,5-dicarboxylate (PubChem CID 13228037) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is diethyl pyrrolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl pyrrolidine-2,5-dicarboxylate
PubChem CID13228037
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namediethyl pyrrolidine-2,5-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)N1
InChIInChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyXDYNGPAGOCWBMK-UHFFFAOYSA-N
XLogP0.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
CID 123893678
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
ethyl (2S,5R)-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate
CID 10776114
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 27282195
ethyl 5-cyclopropylpyrazolidine-3-carboxylate
CID 19261694
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551

Frequently Asked Questions

What is the IUPAC name of diethyl pyrrolidine-2,5-dicarboxylate?
The IUPAC name of diethyl pyrrolidine-2,5-dicarboxylate (CID 13228037) is diethyl pyrrolidine-2,5-dicarboxylate.
What is the SMILES notation for diethyl pyrrolidine-2,5-dicarboxylate?
The canonical SMILES for diethyl pyrrolidine-2,5-dicarboxylate is CCOC(=O)C1CCC(C(=O)OCC)N1.
What is the InChIKey of diethyl pyrrolidine-2,5-dicarboxylate?
The InChIKey is XDYNGPAGOCWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of diethyl pyrrolidine-2,5-dicarboxylate?
diethyl pyrrolidine-2,5-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl pyrrolidine-2,5-dicarboxylate is sourced from PubChem (CID 13228037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).