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

C7H14N2O5S — CID 43310531

IUPAC4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid
SMILESCNC(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-8-6(10)5-9-15(13,14)4-2-3-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12)
InChIKeyDNFCJTGICRFMEC-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.48
Rot. Bonds7

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

4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid (PubChem CID 43310531) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid
PubChem CID43310531
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid
SMILESCNC(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-8-6(10)5-9-15(13,14)4-2-3-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12)
InChIKeyDNFCJTGICRFMEC-UHFFFAOYSA-N
XLogP-1.48
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid (CID 43310531) is 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid is CNC(=O)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The InChIKey is DNFCJTGICRFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-8-6(10)5-9-15(13,14)4-2-3-7(11)12/h9H,2-5H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43310531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).