ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate

C13H14ClNO3 — CID 105360299

IUPACethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c1-2-18-13(17)12-10(7-11(16)15-12)8-4-3-5-9(14)6-8/h3-6,10,12H,2,7H2,1H3,(H,15,16)
InChIKeyAUVXEMLGNPAPCS-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.88
Rot. Bonds3

About ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate

ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360299) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID105360299
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nameethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c1-2-18-13(17)12-10(7-11(16)15-12)8-4-3-5-9(14)6-8/h3-6,10,12H,2,7H2,1H3,(H,15,16)
InChIKeyAUVXEMLGNPAPCS-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3-chlorophenyl)-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

Related Compounds

ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
CID 105360312
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360333
ethyl (2R,3R)-2-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452952
ethyl 6-(3-chlorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91049028
ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
CID 105360281
ethyl (2R,3S)-3-(3-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 69427733
ethyl (1R,2R,3S)-2-(3-chlorophenyl)-3-methylcyclopropane-1-carboxylate
CID 170693953
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate (CID 105360299) is ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1cccc(Cl)c1.
What is the InChIKey of ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is AUVXEMLGNPAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-2-18-13(17)12-10(7-11(16)15-12)8-4-3-5-9(14)6-8/h3-6,10,12H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 267.71 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).