2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid

C4H8N2O5S — CID 28773499

IUPAC2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid
SMILESNC(=O)CNS(=O)(=O)CC(=O)O
InChIInChI=1S/C4H8N2O5S/c5-3(7)1-6-12(10,11)2-4(8)9/h6H,1-2H2,(H2,5,7)(H,8,9)
InChIKeyHEKHKAWNHLMFHG-UHFFFAOYSA-N
MW196.18 g/mol
LogP-2.52
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid

2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid (PubChem CID 28773499) has the molecular formula C4H8N2O5S and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid
PubChem CID28773499
Molecular FormulaC4H8N2O5S
Molecular Weight196.18 g/mol
Exact Mass196.02
IUPAC Name2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid
SMILESNC(=O)CNS(=O)(=O)CC(=O)O
InChIInChI=1S/C4H8N2O5S/c5-3(7)1-6-12(10,11)2-4(8)9/h6H,1-2H2,(H2,5,7)(H,8,9)
InChIKeyHEKHKAWNHLMFHG-UHFFFAOYSA-N
XLogP-2.52
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-2.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid (CID 28773499) is 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid is NC(=O)CNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid?
The InChIKey is HEKHKAWNHLMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5S/c5-3(7)1-6-12(10,11)2-4(8)9/h6H,1-2H2,(H2,5,7)(H,8,9).
What are the key properties of 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid?
2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid has a molecular weight of 196.18 g/mol, XLogP of -2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28773499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).