3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid

C11H14N2O7S — CID 115992016

IUPAC3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid
SMILESNC(=O)CONS(=O)(=O)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C11H14N2O7S/c12-10(14)7-20-13-21(17,18)9-3-1-8(2-4-9)19-6-5-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyJIIDBGASEKBBPX-UHFFFAOYSA-N
MW318.31 g/mol
LogP-0.76
Rot. Bonds9

About 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid

3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid (PubChem CID 115992016) has the molecular formula C11H14N2O7S and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid
PubChem CID115992016
Molecular FormulaC11H14N2O7S
Molecular Weight318.31 g/mol
Exact Mass318.05
IUPAC Name3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid
SMILESNC(=O)CONS(=O)(=O)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C11H14N2O7S/c12-10(14)7-20-13-21(17,18)9-3-1-8(2-4-9)19-6-5-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyJIIDBGASEKBBPX-UHFFFAOYSA-N
XLogP-0.76
TPSA145.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673488
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
3-[4-(2-cyanoethylsulfamoyl)phenoxy]propanoic acid
CID 62666959
2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
CID 112673521
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]oxyacetamide
CID 107858263
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]oxyacetamide
CID 112673502
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
4-[(2-amino-2-oxoethoxy)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 112672409

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid (CID 115992016) is 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid is NC(=O)CONS(=O)(=O)c1ccc(OCCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid?
The InChIKey is JIIDBGASEKBBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O7S/c12-10(14)7-20-13-21(17,18)9-3-1-8(2-4-9)19-6-5-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16).
What are the key properties of 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid?
3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid has a molecular weight of 318.31 g/mol, XLogP of -0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid is sourced from PubChem (CID 115992016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).