ethyl (2S)-5-oxopyrrolidine-2-carboxylate

C7H11NO3 — CID 2724446

IUPACethyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyQYJOOVQLTTVTJY-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

About ethyl (2S)-5-oxopyrrolidine-2-carboxylate

ethyl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 2724446) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID2724446
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyQYJOOVQLTTVTJY-YFKPBYRVSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2S)-5-oxopyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-5-oxopyrrolidine-2-carboxylate (CID 2724446) is ethyl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of ethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is QYJOOVQLTTVTJY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of ethyl (2S)-5-oxopyrrolidine-2-carboxylate?
ethyl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 2724446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).