1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid

C11H13NO3S — CID 16787951

IUPAC1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C11H13NO3S/c13-10(7-8-3-2-6-16-8)12-5-1-4-9(12)11(14)15/h2-3,6,9H,1,4-5,7H2,(H,14,15)
InChIKeyAAYIFEJNJRFLKJ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid

1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 16787951) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID16787951
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C11H13NO3S/c13-10(7-8-3-2-6-16-8)12-5-1-4-9(12)11(14)15/h2-3,6,9H,1,4-5,7H2,(H,14,15)
InChIKeyAAYIFEJNJRFLKJ-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid (CID 16787951) is 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AAYIFEJNJRFLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(7-8-3-2-6-16-8)12-5-1-4-9(12)11(14)15/h2-3,6,9H,1,4-5,7H2,(H,14,15).
What are the key properties of 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid?
1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16787951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).