3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid

C6H13N3O4S — CID 107324162

IUPAC3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C6H13N3O4S/c1-8-14(12,13)9-3-2-6(7,4-9)5(10)11/h8H,2-4,7H2,1H3,(H,10,11)
InChIKeyZLOQQIZTXFNQKF-UHFFFAOYSA-N
MW223.25 g/mol
LogP-2.06
Rot. Bonds3

About 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid

3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324162) has the molecular formula C6H13N3O4S and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID107324162
Molecular FormulaC6H13N3O4S
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C6H13N3O4S/c1-8-14(12,13)9-3-2-6(7,4-9)5(10)11/h8H,2-4,7H2,1H3,(H,10,11)
InChIKeyZLOQQIZTXFNQKF-UHFFFAOYSA-N
XLogP-2.06
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(methylsulfamoyl)pyrrolidine-3-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

3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107323993
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323953
4-methyl-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 163619342
3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323845
3-amino-1-(2-bromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323812
3-amino-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323895
3-amino-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107324137
3-amino-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323926
3-amino-1-(2-chloro-5-cyanophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107324052

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 107324162) is 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid is CNS(=O)(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZLOQQIZTXFNQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O4S/c1-8-14(12,13)9-3-2-6(7,4-9)5(10)11/h8H,2-4,7H2,1H3,(H,10,11).
What are the key properties of 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of -2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).