(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid

C7H13NO2S — CID 67820831

IUPAC(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
SMILESCCS[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C7H13NO2S/c1-2-11-7(6(9)10)4-3-5-8-7/h8H,2-5H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyVUIJGLFSEGLJIX-SSDOTTSWSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds3

About (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid

(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid (PubChem CID 67820831) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
PubChem CID67820831
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
SMILESCCS[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C7H13NO2S/c1-2-11-7(6(9)10)4-3-5-8-7/h8H,2-5H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyVUIJGLFSEGLJIX-SSDOTTSWSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethylsulfanylpyrrolidine-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 (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid (CID 67820831) is (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid is CCS[C@@]1(C(=O)O)CCCN1.
What is the InChIKey of (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid?
The InChIKey is VUIJGLFSEGLJIX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-11-7(6(9)10)4-3-5-8-7/h8H,2-5H2,1H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid?
(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67820831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).