(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid

C10H13NO2S — CID 57207040

IUPAC(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](c2ccsc2)CN1C(=O)O
InChIInChI=1S/C10H13NO2S/c1-7-4-9(5-11(7)10(12)13)8-2-3-14-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,12,13)/t7-,9+/m1/s1
InChIKeyAMNBJAAUVSKCKG-APPZFPTMSA-N
MW211.29 g/mol
LogP2.60
Rot. Bonds1

About (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid

(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid (PubChem CID 57207040) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid
PubChem CID57207040
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](c2ccsc2)CN1C(=O)O
InChIInChI=1S/C10H13NO2S/c1-7-4-9(5-11(7)10(12)13)8-2-3-14-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,12,13)/t7-,9+/m1/s1
InChIKeyAMNBJAAUVSKCKG-APPZFPTMSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-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 (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid (CID 57207040) is (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid is C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid?
The InChIKey is AMNBJAAUVSKCKG-APPZFPTMSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-4-9(5-11(7)10(12)13)8-2-3-14-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,12,13)/t7-,9+/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid?
(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57207040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).