(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H14N2O4S — CID 122069629

IUPAC(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESNc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H14N2O4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7,12H2,(H,14,15)/t9-/m1/s1
InChIKeyNDUWGSUQOMWHAL-SECBINFHSA-N
MW270.31 g/mol
LogP0.51
Rot. Bonds3

About (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid

(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 122069629) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID122069629
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESNc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H14N2O4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7,12H2,(H,14,15)/t9-/m1/s1
InChIKeyNDUWGSUQOMWHAL-SECBINFHSA-N
XLogP0.51
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-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

(2R,3R)-1-(2-aminophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104966
ethyl (2S)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11522251
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
(2S)-1-[2-(2-methylprop-1-enyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 166385554
1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 167910792
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43096916
(2R)-1-(1-benzothiophen-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 120968936
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 122069629) is (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid is Nc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is NDUWGSUQOMWHAL-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7,12H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122069629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).