2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid

C11H16N2O5S — CID 55173468

IUPAC2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C11H16N2O5S/c1-8(11(14)15)19(16,17)13-5-6-18-10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyDXFGHHOGEVSAQQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.04
Rot. Bonds7

About 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid

2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid (PubChem CID 55173468) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
PubChem CID55173468
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCOc1cccc(N)c1
InChIInChI=1S/C11H16N2O5S/c1-8(11(14)15)19(16,17)13-5-6-18-10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyDXFGHHOGEVSAQQ-UHFFFAOYSA-N
XLogP0.04
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465522
1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
2-[[3-(3-cyanopropoxy)phenyl]sulfamoyl]propanoic acid
CID 61455010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid (CID 55173468) is 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCCOc1cccc(N)c1.
What is the InChIKey of 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid?
The InChIKey is DXFGHHOGEVSAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8(11(14)15)19(16,17)13-5-6-18-10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid?
2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 55173468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).