2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid

C6H12N2O4S — CID 114806588

IUPAC2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NC
InChIInChI=1S/C6H12N2O4S/c1-3-4-8(5-6(9)10)13(11,12)7-2/h3,7H,1,4-5H2,2H3,(H,9,10)
InChIKeyPXUWCEVXWVABIL-UHFFFAOYSA-N
MW208.24 g/mol
LogP-0.98
Rot. Bonds6

About 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid

2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 114806588) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid
PubChem CID114806588
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NC
InChIInChI=1S/C6H12N2O4S/c1-3-4-8(5-6(9)10)13(11,12)7-2/h3,7H,1,4-5H2,2H3,(H,9,10)
InChIKeyPXUWCEVXWVABIL-UHFFFAOYSA-N
XLogP-0.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid (CID 114806588) is 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)NC.
What is the InChIKey of 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is PXUWCEVXWVABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-3-4-8(5-6(9)10)13(11,12)7-2/h3,7H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid?
2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 208.24 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 114806588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).