4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid

C12H18N2O5S — CID 62941698

IUPAC4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1cc(S(=O)(=O)N2CCC(O)C2)cc1C(=O)O
InChIInChI=1S/C12H18N2O5S/c1-8(2)14-7-10(5-11(14)12(16)17)20(18,19)13-4-3-9(15)6-13/h5,7-9,15H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKHCGQFNCTUUIRN-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.52
Rot. Bonds4

About 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid

4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 62941698) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID62941698
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1cc(S(=O)(=O)N2CCC(O)C2)cc1C(=O)O
InChIInChI=1S/C12H18N2O5S/c1-8(2)14-7-10(5-11(14)12(16)17)20(18,19)13-4-3-9(15)6-13/h5,7-9,15H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKHCGQFNCTUUIRN-UHFFFAOYSA-N
XLogP0.52
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-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

Related Compounds

4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 107215988
4-(4-aminopiperidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61402858
1-propan-2-yl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644167
4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644293
1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644315
2-hydroxy-5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 62943562
2-hydroxy-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid
CID 107215006
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
4-(3-methylmorpholin-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644635
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 55029596
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid (CID 62941698) is 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid is CC(C)n1cc(S(=O)(=O)N2CCC(O)C2)cc1C(=O)O.
What is the InChIKey of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is KHCGQFNCTUUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-8(2)14-7-10(5-11(14)12(16)17)20(18,19)13-4-3-9(15)6-13/h5,7-9,15H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid?
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 62941698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).