(2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid

C8H15NO5S — CID 134324908

IUPAC(2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid
SMILESCS(=O)(=O)CC(O)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C8H15NO5S/c1-15(13,14)5-7(10)6-3-2-4-9(6)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyPFPZVCQQWWLLRV-PKPIPKONSA-N
MW237.28 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid

(2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid (PubChem CID 134324908) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid
PubChem CID134324908
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name(2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid
SMILESCS(=O)(=O)CC(O)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C8H15NO5S/c1-15(13,14)5-7(10)6-3-2-4-9(6)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyPFPZVCQQWWLLRV-PKPIPKONSA-N
XLogP-0.47
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-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 (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid (CID 134324908) is (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid is CS(=O)(=O)CC(O)[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is PFPZVCQQWWLLRV-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-15(13,14)5-7(10)6-3-2-4-9(6)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-hydroxy-2-methylsulfonylethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134324908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).