2-oxo-2-(2-sulfamoylethylamino)acetic acid

C4H8N2O5S — CID 43552644

IUPAC2-oxo-2-(2-sulfamoylethylamino)acetic acid
SMILESNS(=O)(=O)CCNC(=O)C(=O)O
InChIInChI=1S/C4H8N2O5S/c5-12(10,11)2-1-6-3(7)4(8)9/h1-2H2,(H,6,7)(H,8,9)(H2,5,10,11)
InChIKeyCFGCXNXMSNBRDS-UHFFFAOYSA-N
MW196.18 g/mol
LogP-2.52
Rot. Bonds3

About 2-oxo-2-(2-sulfamoylethylamino)acetic acid

2-oxo-2-(2-sulfamoylethylamino)acetic acid (PubChem CID 43552644) has the molecular formula C4H8N2O5S and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-oxo-2-(2-sulfamoylethylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2-sulfamoylethylamino)acetic acid
PubChem CID43552644
Molecular FormulaC4H8N2O5S
Molecular Weight196.18 g/mol
Exact Mass196.02
IUPAC Name2-oxo-2-(2-sulfamoylethylamino)acetic acid
SMILESNS(=O)(=O)CCNC(=O)C(=O)O
InChIInChI=1S/C4H8N2O5S/c5-12(10,11)2-1-6-3(7)4(8)9/h1-2H2,(H,6,7)(H,8,9)(H2,5,10,11)
InChIKeyCFGCXNXMSNBRDS-UHFFFAOYSA-N
XLogP-2.52
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methanesulfonylamino-2-oxo-ethyl)-oxalamic acid
CID 14991440
2-[[2-(Pentylsulfonylamino)acetyl]amino]acetic acid
CID 88055904
2-Oxo-2-(1-sulfamoylethylamino)acetic acid
CID 88199429
2-Acetamidoacetate;2-(methylazaniumyl)ethanesulfonate
CID 91504804
2-(2-Sulfamoylethylamino)acetic acid
CID 114385314
2-[[2-(2-Sulfoethylamino)oxyacetyl]amino]acetic acid
CID 141040197
2-[3-Aminopropylsulfonyl-[2-(oxomethylamino)ethyl]amino]acetic acid;fermium
CID 145667791
2-(3-Sulfopropanoylamino)acetic acid
CID 146317616
2-[[2-(3-Sulfopropanoylamino)acetyl]amino]acetic acid
CID 146317619
2-[[2-(Methanesulfonamido)acetyl]amino]acetic acid
CID 43386638
2-[[2-(Propylsulfonylamino)acetyl]amino]acetic acid
CID 43386643
2-[[2-(Butylsulfonylamino)acetyl]amino]acetic acid
CID 43386661

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-sulfamoylethylamino)acetic acid?
The IUPAC name of 2-oxo-2-(2-sulfamoylethylamino)acetic acid (CID 43552644) is 2-oxo-2-(2-sulfamoylethylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(2-sulfamoylethylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(2-sulfamoylethylamino)acetic acid is NS(=O)(=O)CCNC(=O)C(=O)O.
What is the InChIKey of 2-oxo-2-(2-sulfamoylethylamino)acetic acid?
The InChIKey is CFGCXNXMSNBRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5S/c5-12(10,11)2-1-6-3(7)4(8)9/h1-2H2,(H,6,7)(H,8,9)(H2,5,10,11).
What are the key properties of 2-oxo-2-(2-sulfamoylethylamino)acetic acid?
2-oxo-2-(2-sulfamoylethylamino)acetic acid has a molecular weight of 196.18 g/mol, XLogP of -2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-sulfamoylethylamino)acetic acid is sourced from PubChem (CID 43552644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).