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

C7H14N2O5S — CID 103101578

IUPAC3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-2-9(5-6(8)10)15(13,14)4-3-7(11)12/h2-5H2,1H3,(H2,8,10)(H,11,12)
InChIKeyIYPOWGAAYNEQOD-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.40
Rot. Bonds7

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

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid (PubChem CID 103101578) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
PubChem CID103101578
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-2-9(5-6(8)10)15(13,14)4-3-7(11)12/h2-5H2,1H3,(H2,8,10)(H,11,12)
InChIKeyIYPOWGAAYNEQOD-UHFFFAOYSA-N
XLogP-1.40
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
CID 107435665
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
2-[cyanomethylsulfonyl(ethyl)amino]acetamide
CID 103102496
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
CID 60950576
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
CID 107435713
2-[(2-amino-2-oxoethyl)-(dimethylsulfamoyl)amino]acetic acid
CID 107435768
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101618

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid (CID 103101578) is 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid is CCN(CC(N)=O)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
The InChIKey is IYPOWGAAYNEQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-2-9(5-6(8)10)15(13,14)4-3-7(11)12/h2-5H2,1H3,(H2,8,10)(H,11,12).
What are the key properties of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.40, 7 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)-ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 103101578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).