(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid

C11H24N4O4S — CID 67154348

IUPAC(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid
SMILESCN1CCCC1CCNS(=O)(=O)N(C)C[C@H](N)C(=O)O
InChIInChI=1S/C11H24N4O4S/c1-14-7-3-4-9(14)5-6-13-20(18,19)15(2)8-10(12)11(16)17/h9-10,13H,3-8,12H2,1-2H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyGWFHPHOJYHGYTO-AXDSSHIGSA-N
MW308.40 g/mol
LogP-1.35
Rot. Bonds8

About (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid

(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid (PubChem CID 67154348) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid
PubChem CID67154348
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC Name(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid
SMILESCN1CCCC1CCNS(=O)(=O)N(C)C[C@H](N)C(=O)O
InChIInChI=1S/C11H24N4O4S/c1-14-7-3-4-9(14)5-6-13-20(18,19)15(2)8-10(12)11(16)17/h9-10,13H,3-8,12H2,1-2H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyGWFHPHOJYHGYTO-AXDSSHIGSA-N
XLogP-1.35
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic 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

(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid
CID 67154360
(2S)-2-amino-3-(2-pyrrolidin-1-ylethylsulfamoylamino)propanoic acid
CID 67154844
2-Amino-3-(2-pyrrolidin-1-ylethylsulfamoylamino)propanoic acid
CID 70945318
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]butanoic acid
CID 70945563
(2S)-2-amino-4-[[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]amino]butanoic acid
CID 70945565
(2S)-2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 70945813
2-Amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 70945817
(2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid
CID 70945821
2-Amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid
CID 70945823
(2S)-2-amino-3-[3-(dimethylamino)propylsulfamoylamino]propanoic acid
CID 87289599
2-Amino-3-[2-(dimethylamino)ethyl-(methylsulfamoyl)amino]propanoic acid
CID 87289603
(2S)-2-amino-3-[2-(dimethylamino)ethyl-(methylsulfamoyl)amino]propanoic acid
CID 87289604

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid (CID 67154348) is (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid is CN1CCCC1CCNS(=O)(=O)N(C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid?
The InChIKey is GWFHPHOJYHGYTO-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-14-7-3-4-9(14)5-6-13-20(18,19)15(2)8-10(12)11(16)17/h9-10,13H,3-8,12H2,1-2H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid?
(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid has a molecular weight of 308.40 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid is sourced from PubChem (CID 67154348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).