1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid

C8H15NO4S — CID 63032563

IUPAC1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid
SMILESCS(=O)(=O)CCN1CCC(C(=O)O)C1
InChIInChI=1S/C8H15NO4S/c1-14(12,13)5-4-9-3-2-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPYOCHNDFOAVOKC-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.56
Rot. Bonds4

About 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid

1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032563) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid
PubChem CID63032563
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid
SMILESCS(=O)(=O)CCN1CCC(C(=O)O)C1
InChIInChI=1S/C8H15NO4S/c1-14(12,13)5-4-9-3-2-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPYOCHNDFOAVOKC-UHFFFAOYSA-N
XLogP-0.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylsulfonylethyl)pyrrolidine-3-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 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid (CID 63032563) is 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid is CS(=O)(=O)CCN1CCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PYOCHNDFOAVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-14(12,13)5-4-9-3-2-7(6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid?
1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).