2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate

C11H20N2O3 — CID 21392399

IUPAC2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCCC1=O
InChIInChI=1S/C11H20N2O3/c1-3-12(4-2)8-9-16-11(15)13-7-5-6-10(13)14/h3-9H2,1-2H3
InChIKeyKPJFHDLTTHLUPL-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.09
Rot. Bonds5

About 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate

2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 21392399) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
PubChem CID21392399
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCCC1=O
InChIInChI=1S/C11H20N2O3/c1-3-12(4-2)8-9-16-11(15)13-7-5-6-10(13)14/h3-9H2,1-2H3
InChIKeyKPJFHDLTTHLUPL-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate (CID 21392399) is 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate is CCN(CC)CCOC(=O)N1CCCC1=O.
What is the InChIKey of 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is KPJFHDLTTHLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12(4-2)8-9-16-11(15)13-7-5-6-10(13)14/h3-9H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 21392399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).