1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H14N2O3S — CID 55174672

IUPAC1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCc1ccsc1
InChIInChI=1S/C11H14N2O3S/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2,(H,12,16)(H,14,15)
InChIKeyNDYXRNKSNHSJSA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.51
Rot. Bonds3

About 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 55174672) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID55174672
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCc1ccsc1
InChIInChI=1S/C11H14N2O3S/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2,(H,12,16)(H,14,15)
InChIKeyNDYXRNKSNHSJSA-UHFFFAOYSA-N
XLogP1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 55174672) is 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)NCc1ccsc1.
What is the InChIKey of 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NDYXRNKSNHSJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2,(H,12,16)(H,14,15).
What are the key properties of 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55174672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).