(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid

C9H11NO2S — CID 55270637

IUPAC(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](c2cccs2)N1
InChIInChI=1S/C9H11NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)/t6-,7-/m0/s1
InChIKeyNKDDEJDHDHYBFG-BQBZGAKWSA-N
MW197.26 g/mol
LogP1.63
Rot. Bonds2

About (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid

(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 55270637) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid
PubChem CID55270637
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](c2cccs2)N1
InChIInChI=1S/C9H11NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)/t6-,7-/m0/s1
InChIKeyNKDDEJDHDHYBFG-BQBZGAKWSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid (CID 55270637) is (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC[C@@H](c2cccs2)N1.
What is the InChIKey of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is NKDDEJDHDHYBFG-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid?
(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55270637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).