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

C7H14N2O4S — CID 114806591

IUPAC2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NCC
InChIInChI=1S/C7H14N2O4S/c1-3-5-9(6-7(10)11)14(12,13)8-4-2/h3,8H,1,4-6H2,2H3,(H,10,11)
InChIKeyBMEYKXAUJHAEFB-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.59
Rot. Bonds7

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

2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 114806591) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid
PubChem CID114806591
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NCC
InChIInChI=1S/C7H14N2O4S/c1-3-5-9(6-7(10)11)14(12,13)8-4-2/h3,8H,1,4-6H2,2H3,(H,10,11)
InChIKeyBMEYKXAUJHAEFB-UHFFFAOYSA-N
XLogP-0.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.59
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-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid (CID 114806591) is 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)NCC.
What is the InChIKey of 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is BMEYKXAUJHAEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-3-5-9(6-7(10)11)14(12,13)8-4-2/h3,8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid?
2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 222.27 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 114806591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).