4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid

C6H12N2O5S — CID 28773497

IUPAC4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid
SMILESNC(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C6H12N2O5S/c7-5(9)4-8-14(12,13)3-1-2-6(10)11/h8H,1-4H2,(H2,7,9)(H,10,11)
InChIKeyAAYWJFFSJZHFFO-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.74
Rot. Bonds7

About 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid

4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid (PubChem CID 28773497) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid
PubChem CID28773497
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid
SMILESNC(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C6H12N2O5S/c7-5(9)4-8-14(12,13)3-1-2-6(10)11/h8H,1-4H2,(H2,7,9)(H,10,11)
InChIKeyAAYWJFFSJZHFFO-UHFFFAOYSA-N
XLogP-1.74
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid (CID 28773497) is 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid is NC(=O)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid?
The InChIKey is AAYWJFFSJZHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c7-5(9)4-8-14(12,13)3-1-2-6(10)11/h8H,1-4H2,(H2,7,9)(H,10,11).
What are the key properties of 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid?
4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid has a molecular weight of 224.24 g/mol, XLogP of -1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28773497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).