1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid

C9H15NO4S — CID 79371470

IUPAC1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C9H15NO4S/c1-6-8(9(11)12)4-5-10(6)15(13,14)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyJEHUSDGEZMFGDJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.27
Rot. Bonds3

About 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid

1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79371470) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79371470
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C9H15NO4S/c1-6-8(9(11)12)4-5-10(6)15(13,14)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyJEHUSDGEZMFGDJ-UHFFFAOYSA-N
XLogP0.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropylsulfonyl-2-methylpyrrolidine-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-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid (CID 79371470) is 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1S(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JEHUSDGEZMFGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-6-8(9(11)12)4-5-10(6)15(13,14)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid?
1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).