methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate

C12H15NO4S — CID 168702068

IUPACmethyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(N2CC(O)CC2=O)s1
InChIInChI=1S/C12H15NO4S/c1-3-8-5-9(12(16)17-2)11(18-8)13-6-7(14)4-10(13)15/h5,7,14H,3-4,6H2,1-2H3
InChIKeyLSFNWCCKKVSTFC-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.19
Rot. Bonds3

About methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate

methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate (PubChem CID 168702068) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
PubChem CID168702068
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(N2CC(O)CC2=O)s1
InChIInChI=1S/C12H15NO4S/c1-3-8-5-9(12(16)17-2)11(18-8)13-6-7(14)4-10(13)15/h5,7,14H,3-4,6H2,1-2H3
InChIKeyLSFNWCCKKVSTFC-UHFFFAOYSA-N
XLogP1.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-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

methyl 2-(4-chloro-2-oxopyrrolidin-1-yl)-5-ethylthiophene-3-carboxylate
CID 168687546
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-ethylthiophene-3-carboxylate
CID 168659364
methyl 2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-5-ethylthiophene-3-carboxylate
CID 23309923
ethyl 2-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-5-ethylthiophene-3-carboxylate
CID 168672878
methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702194
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
methyl 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carboxylate
CID 168501277
methyl 3-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702177
methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168702204
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
methyl 3-cyano-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702170
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methylthiophene-3-carboxylate
CID 168507166

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate (CID 168702068) is methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate is CCc1cc(C(=O)OC)c(N2CC(O)CC2=O)s1.
What is the InChIKey of methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
The InChIKey is LSFNWCCKKVSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-3-8-5-9(12(16)17-2)11(18-8)13-6-7(14)4-10(13)15/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 168702068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).