ethyl 5-oxopyrrolidine-3-carboxylate

C7H11NO3 — CID 44890818

IUPACethyl 5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNC(=O)C1
InChIInChI=1S/C7H11NO3/c1-2-11-7(10)5-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyQWMPXTNXXREMCK-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.31
Rot. Bonds2

About ethyl 5-oxopyrrolidine-3-carboxylate

ethyl 5-oxopyrrolidine-3-carboxylate (PubChem CID 44890818) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl 5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxopyrrolidine-3-carboxylate
PubChem CID44890818
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl 5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNC(=O)C1
InChIInChI=1S/C7H11NO3/c1-2-11-7(10)5-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyQWMPXTNXXREMCK-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 5-oxopyrrolidine-3-carboxylate (CID 44890818) is ethyl 5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 5-oxopyrrolidine-3-carboxylate is CCOC(=O)C1CNC(=O)C1.
What is the InChIKey of ethyl 5-oxopyrrolidine-3-carboxylate?
The InChIKey is QWMPXTNXXREMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of ethyl 5-oxopyrrolidine-3-carboxylate?
ethyl 5-oxopyrrolidine-3-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 44890818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).