1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C10H11NO3S — CID 2740713

IUPAC1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)
InChIKeyIILFMWQTZZFXTM-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.44
Rot. Bonds2

About 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 2740713) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID2740713
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)
InChIKeyIILFMWQTZZFXTM-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 2740713) is 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IILFMWQTZZFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14).
What are the key properties of 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2740713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).