4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C11H14N2O3S — CID 66356293

IUPAC4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)Nc2ccsc2)CC1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-7-4-13(5-9(7)10(14)15)11(16)12-8-2-3-17-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyYKSPHJLXQLIWSG-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.93
Rot. Bonds2

About 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 66356293) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID66356293
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)Nc2ccsc2)CC1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-7-4-13(5-9(7)10(14)15)11(16)12-8-2-3-17-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyYKSPHJLXQLIWSG-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 66356293) is 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)Nc2ccsc2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YKSPHJLXQLIWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-4-13(5-9(7)10(14)15)11(16)12-8-2-3-17-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiophen-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66356293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).