2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid

C5H8N2O6S — CID 14991440

IUPAC2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid
SMILESCS(=O)(=O)NC(=O)CNC(=O)C(=O)O
InChIInChI=1S/C5H8N2O6S/c1-14(12,13)7-3(8)2-6-4(9)5(10)11/h2H2,1H3,(H,6,9)(H,7,8)(H,10,11)
InChIKeyKDUKGYYYMCPDRY-UHFFFAOYSA-N
MW224.19 g/mol
LogP-2.74
Rot. Bonds3

About 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid

2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid (PubChem CID 14991440) has the molecular formula C5H8N2O6S and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid
PubChem CID14991440
Molecular FormulaC5H8N2O6S
Molecular Weight224.19 g/mol
Exact Mass224.01
IUPAC Name2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid
SMILESCS(=O)(=O)NC(=O)CNC(=O)C(=O)O
InChIInChI=1S/C5H8N2O6S/c1-14(12,13)7-3(8)2-6-4(9)5(10)11/h2H2,1H3,(H,6,9)(H,7,8)(H,10,11)
InChIKeyKDUKGYYYMCPDRY-UHFFFAOYSA-N
XLogP-2.74
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate
CID 14991439
Mercapto-acetyl-glycinyl-glycine
CID 129850333
2-[[2-(Difluoromethylsulfonylamino)acetyl]amino]acetic acid
CID 43465618
2-[[2-(Methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid
CID 20806668
2-[2-(Methanesulfonamido)ethylamino]acetic acid
CID 43545974
2-Oxo-2-(2-sulfamoylethylamino)acetic acid
CID 43552644
2-(2-Aminoethylamino)acetic acid;methanesulfonamide
CID 87392389
2-[[2-(Pentylsulfonylamino)acetyl]amino]acetic acid
CID 88055904
2-[[(2S)-1-(methanesulfonamido)-1-oxopropan-2-yl]amino]acetic acid
CID 88059198
2-Oxo-2-(1-sulfamoylethylamino)acetic acid
CID 88199429
2-[(2-Aminoacetyl)amino]ethaneperoxoic acid;methanesulfonic acid
CID 88435585
2-[[2-[(Methyldisulfanyl)carbonylamino]acetyl]amino]acetic acid
CID 126678687

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid (CID 14991440) is 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid is CS(=O)(=O)NC(=O)CNC(=O)C(=O)O.
What is the InChIKey of 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid?
The InChIKey is KDUKGYYYMCPDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O6S/c1-14(12,13)7-3(8)2-6-4(9)5(10)11/h2H2,1H3,(H,6,9)(H,7,8)(H,10,11).
What are the key properties of 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid?
2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid has a molecular weight of 224.19 g/mol, XLogP of -2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 14991440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).