ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate

C13H15NO3 — CID 3146745

IUPACethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-17-13(16)12-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,14,15)
InChIKeyMWCKXXFBEHXSLU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.22
Rot. Bonds3

About ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate

ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate (PubChem CID 3146745) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate
PubChem CID3146745
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-17-13(16)12-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,14,15)
InChIKeyMWCKXXFBEHXSLU-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-oxo-3-phenylpyrrolidine-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 5-oxo-3-phenylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate (CID 3146745) is ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate?
The InChIKey is MWCKXXFBEHXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-17-13(16)12-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate?
ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 3146745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).