3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid

C6H12N2O5S — CID 43374074

IUPAC3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid
SMILESCN(CC(N)=O)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-8(4-5(7)9)14(12,13)3-2-6(10)11/h2-4H2,1H3,(H2,7,9)(H,10,11)
InChIKeyLABHSDUSWJXYNK-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.79
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid

3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid (PubChem CID 43374074) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid
PubChem CID43374074
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid
SMILESCN(CC(N)=O)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H12N2O5S/c1-8(4-5(7)9)14(12,13)3-2-6(10)11/h2-4H2,1H3,(H2,7,9)(H,10,11)
InChIKeyLABHSDUSWJXYNK-UHFFFAOYSA-N
XLogP-1.79
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]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

3-[(2-Acetamidoethyl)sulfamoyl]propanoic acid
CID 43552803
3-[2-(Dimethylamino)ethylsulfamoyl]propanoic acid
CID 28773454
4-[(2-Aminoacetyl)sulfamoyl]butanoic acid
CID 175744312
3-[(2-Amino-2-oxoethyl)sulfamoyl]propanoic acid
CID 28773495
4-[(2-Amino-2-oxoethyl)sulfamoyl]butanoic acid
CID 28773497
2-[[2-(Methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310523
4-[[2-(Methylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 43310531
3-[[2-(Methylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310532
2-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310940
3-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
2-[(2-Amino-2-oxoethyl)-methylsulfamoyl]acetic acid
CID 43374048
4-[(2-Amino-2-oxoethyl)-methylsulfamoyl]butanoic acid
CID 43374073

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid (CID 43374074) is 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid is CN(CC(N)=O)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid?
The InChIKey is LABHSDUSWJXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-8(4-5(7)9)14(12,13)3-2-6(10)11/h2-4H2,1H3,(H2,7,9)(H,10,11).
What are the key properties of 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid?
3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid has a molecular weight of 224.24 g/mol, XLogP of -1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 43374074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).