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

C7H14N2O5S — CID 43374073

IUPAC4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid
SMILESCN(CC(N)=O)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-9(5-6(8)10)15(13,14)4-2-3-7(11)12/h2-5H2,1H3,(H2,8,10)(H,11,12)
InChIKeyDKYSYKMMCKMEAL-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.40
Rot. Bonds7

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

4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid (PubChem CID 43374073) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid
PubChem CID43374073
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid
SMILESCN(CC(N)=O)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-9(5-6(8)10)15(13,14)4-2-3-7(11)12/h2-5H2,1H3,(H2,8,10)(H,11,12)
InChIKeyDKYSYKMMCKMEAL-UHFFFAOYSA-N
XLogP-1.40
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid (CID 43374073) is 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid is CN(CC(N)=O)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid?
The InChIKey is DKYSYKMMCKMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-9(5-6(8)10)15(13,14)4-2-3-7(11)12/h2-5H2,1H3,(H2,8,10)(H,11,12).
What are the key properties of 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid?
4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 43374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).