3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid

C12H16N2O4S — CID 55166923

IUPAC3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C12H16N2O4S/c1-12(11(15)16)6-7-14(8-12)9-4-2-3-5-10(9)19(13,17)18/h2-5H,6-8H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYRGHXAUJZOPQOC-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.63
Rot. Bonds3

About 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 55166923) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID55166923
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C12H16N2O4S/c1-12(11(15)16)6-7-14(8-12)9-4-2-3-5-10(9)19(13,17)18/h2-5H,6-8H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYRGHXAUJZOPQOC-UHFFFAOYSA-N
XLogP0.63
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406
1-(2-methoxycarbonylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013235
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519
1-(2-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147397
2-(4-acetylpiperazin-1-yl)benzenesulfonamide
CID 166232580
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzenesulfonamide
CID 112674926
1-(2-cyano-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512608
2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 112675007
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052354
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
CID 80702471
ethyl (3R)-1-(2-methylsulfonylphenyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 125139045
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317628

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid (CID 55166923) is 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2ccccc2S(N)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YRGHXAUJZOPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(11(15)16)6-7-14(8-12)9-4-2-3-5-10(9)19(13,17)18/h2-5H,6-8H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).