ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate

C6H12N2O5S — CID 60893573

IUPACethyl 2-oxo-2-(2-sulfamoylethylamino)acetate
SMILESCCOC(=O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H12N2O5S/c1-2-13-6(10)5(9)8-3-4-14(7,11)12/h2-4H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyYUXYKEZMWIJXJQ-UHFFFAOYSA-N
MW224.24 g/mol
LogP-2.05
Rot. Bonds4

About ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate

ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate (PubChem CID 60893573) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2-sulfamoylethylamino)acetate
PubChem CID60893573
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Nameethyl 2-oxo-2-(2-sulfamoylethylamino)acetate
SMILESCCOC(=O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H12N2O5S/c1-2-13-6(10)5(9)8-3-4-14(7,11)12/h2-4H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyYUXYKEZMWIJXJQ-UHFFFAOYSA-N
XLogP-2.05
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
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
N-Acetyl-3-sulfonamoyl-L-alanine methyl ester
CID 98454
2-Oxo-2-(2-sulfamoylethylamino)acetic acid
CID 43552644
2-Oxo-2-(1-sulfamoylethylamino)acetic acid
CID 88199429
2-[(2-Ethoxyacetyl)amino]ethanesulfonic acid
CID 88968468
Ethyl 2-(2-aminosulfanylethylamino)-2-oxoacetate
CID 146281539
Ethyl 2-oxo-2-(1-sulfanylethylamino)acetate
CID 167064801
Ethyl 2-oxo-2-(2-sulfanylethylamino)acetate
CID 174662370
methyl (2R)-2-acetamido-3-sulfamoylpropanoate
CID 21117273
Ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate
CID 43552646
Glycine, N-[N-(methylsulfonyl)glycyl]-, ethyl ester
CID 47892396
2-[[2-[(2-Ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid
CID 54952363

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate (CID 60893573) is ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate is CCOC(=O)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate?
The InChIKey is YUXYKEZMWIJXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-2-13-6(10)5(9)8-3-4-14(7,11)12/h2-4H2,1H3,(H,8,9)(H2,7,11,12).
What are the key properties of ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate?
ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate has a molecular weight of 224.24 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate is sourced from PubChem (CID 60893573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).