ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate

C17H20N2O5S — CID 143033051

IUPACethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(C3CC(=O)NS3=O)cc2)CCC(=O)N1
InChIInChI=1S/C17H20N2O5S/c1-2-24-16(22)17(8-7-14(20)18-17)10-11-3-5-12(6-4-11)13-9-15(21)19-25(13)23/h3-6,13H,2,7-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyOGUQDETUBNQPPS-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.67
Rot. Bonds5

About ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate

ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 143033051) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID143033051
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(C3CC(=O)NS3=O)cc2)CCC(=O)N1
InChIInChI=1S/C17H20N2O5S/c1-2-24-16(22)17(8-7-14(20)18-17)10-11-3-5-12(6-4-11)13-9-15(21)19-25(13)23/h3-6,13H,2,7-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyOGUQDETUBNQPPS-UHFFFAOYSA-N
XLogP0.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate with MolForge

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Related Compounds

ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
CID 154676193
ethyl 2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 20786311
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
ethyl (2S)-5-oxo-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 56840521
(2S,3R)-2-ethoxycarbonyl-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
CID 760167
ethyl 1-[(4-ethylphenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 103574804
5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687288
ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 42191586
ethyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10445323
5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687889
5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 113441378

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate (CID 143033051) is ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1(Cc2ccc(C3CC(=O)NS3=O)cc2)CCC(=O)N1.
What is the InChIKey of ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is OGUQDETUBNQPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-2-24-16(22)17(8-7-14(20)18-17)10-11-3-5-12(6-4-11)13-9-15(21)19-25(13)23/h3-6,13H,2,7-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate?
ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 143033051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).