ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate

C13H18N2O3S — CID 168699288

IUPACethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CC(N)CC2=O)sc(C)c1C
InChIInChI=1S/C13H18N2O3S/c1-4-18-13(17)11-7(2)8(3)19-12(11)15-6-9(14)5-10(15)16/h9H,4-6,14H2,1-3H3
InChIKeyWPWVENLNHDTXGP-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 168699288) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate
PubChem CID168699288
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CC(N)CC2=O)sc(C)c1C
InChIInChI=1S/C13H18N2O3S/c1-4-18-13(17)11-7(2)8(3)19-12(11)15-6-9(14)5-10(15)16/h9H,4-6,14H2,1-3H3
InChIKeyWPWVENLNHDTXGP-UHFFFAOYSA-N
XLogP1.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4,5-dimethylthiophene-3-carboxylate
CID 168507167
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate
CID 168699278
ethyl 5-methyl-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168669843
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methylthiophene-3-carboxylate
CID 168507166
ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate
CID 168699266
methyl 4-ethyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-methylthiophene-3-carboxylate
CID 168662189
methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate
CID 168699910
ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112827829
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 168507161
2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile
CID 168699885
[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3428519
ethyl 2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168669845

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate (CID 168699288) is ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(N2CC(N)CC2=O)sc(C)c1C.
What is the InChIKey of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is WPWVENLNHDTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-18-13(17)11-7(2)8(3)19-12(11)15-6-9(14)5-10(15)16/h9H,4-6,14H2,1-3H3.
What are the key properties of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 168699288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).