3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid

C10H12N2O5S — CID 114271235

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H12N2O5S/c13-7-2-4-12(6-7)18(16,17)9-5-11-3-1-8(9)10(14)15/h1,3,5,7,13H,2,4,6H2,(H,14,15)/t7-/m1/s1
InChIKeyDJKSQBLFEZAUQC-SSDOTTSWSA-N
MW272.28 g/mol
LogP-0.46
Rot. Bonds3

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid

3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid (PubChem CID 114271235) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid
PubChem CID114271235
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H12N2O5S/c13-7-2-4-12(6-7)18(16,17)9-5-11-3-1-8(9)10(14)15/h1,3,5,7,13H,2,4,6H2,(H,14,15)/t7-/m1/s1
InChIKeyDJKSQBLFEZAUQC-SSDOTTSWSA-N
XLogP-0.46
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-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

(3R)-1-[(4-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 104940811
2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62941328
2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62943175
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
1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 62941378
5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215060
4-bromo-3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 55133099
4-bromo-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 94895660
2,6-difluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215129
2,6-difluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215059
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid (CID 114271235) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid is O=C(O)c1ccncc1S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid?
The InChIKey is DJKSQBLFEZAUQC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O5S/c13-7-2-4-12(6-7)18(16,17)9-5-11-3-1-8(9)10(14)15/h1,3,5,7,13H,2,4,6H2,(H,14,15)/t7-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid?
3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid is sourced from PubChem (CID 114271235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).