methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate

C11H14N2O3S — CID 168699910

IUPACmethyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1N1CC(N)CC1=O
InChIInChI=1S/C11H14N2O3S/c1-6-3-8(10(17-6)11(15)16-2)13-5-7(12)4-9(13)14/h3,7H,4-5,12H2,1-2H3
InChIKeyWCCWBUFSQDPVSE-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.91
Rot. Bonds2

About methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate

methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate (PubChem CID 168699910) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate
PubChem CID168699910
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1N1CC(N)CC1=O
InChIInChI=1S/C11H14N2O3S/c1-6-3-8(10(17-6)11(15)16-2)13-5-7(12)4-9(13)14/h3,7H,4-5,12H2,1-2H3
InChIKeyWCCWBUFSQDPVSE-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 168709030
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
methyl 4-(4-amino-2-oxopyrrolidin-1-yl)-3-cyanobenzoate
CID 168699432
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-4-fluorobenzoate
CID 168699417
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile
CID 168699885
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 168699288
2-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxybenzonitrile
CID 168699547
methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168699445
ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate
CID 168699266
methyl 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carboxylate
CID 168501277

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate (CID 168699910) is methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate is COC(=O)c1sc(C)cc1N1CC(N)CC1=O.
What is the InChIKey of methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate?
The InChIKey is WCCWBUFSQDPVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-3-8(10(17-6)11(15)16-2)13-5-7(12)4-9(13)14/h3,7H,4-5,12H2,1-2H3.
What are the key properties of methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate?
methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 168699910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).