3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid

C11H14N2O5S — CID 43714343

IUPAC3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
SMILESNC(=O)Cc1ccc(NS(=O)(=O)CCC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c12-10(14)7-8-1-3-9(4-2-8)13-19(17,18)6-5-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyPHTPJLSVXJUWPL-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.07
Rot. Bonds7

About 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid

3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 43714343) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
PubChem CID43714343
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
SMILESNC(=O)Cc1ccc(NS(=O)(=O)CCC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c12-10(14)7-8-1-3-9(4-2-8)13-19(17,18)6-5-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyPHTPJLSVXJUWPL-UHFFFAOYSA-N
XLogP-0.07
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16786405
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CID 43715118
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide
CID 100785351
3-[(4-butan-2-ylphenyl)sulfamoyl]propanoic acid
CID 43704683
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
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3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 43145893
3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
CID 43709814
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558
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CID 28774384

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid (CID 43714343) is 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid is NC(=O)Cc1ccc(NS(=O)(=O)CCC(=O)O)cc1.
What is the InChIKey of 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is PHTPJLSVXJUWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-10(14)7-8-1-3-9(4-2-8)13-19(17,18)6-5-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16).
What are the key properties of 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid?
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43714343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).