2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid

C11H16N2O5S — CID 63120963

IUPAC2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C11H16N2O5S/c1-8(11(14)15)19(16,17)13-9-3-2-4-10(7-9)18-6-5-12/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyMECAXWUMLCVVLG-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.24
Rot. Bonds7

About 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid

2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid (PubChem CID 63120963) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
PubChem CID63120963
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C11H16N2O5S/c1-8(11(14)15)19(16,17)13-9-3-2-4-10(7-9)18-6-5-12/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyMECAXWUMLCVVLG-UHFFFAOYSA-N
XLogP0.24
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-cyanopropoxy)phenyl]sulfamoyl]propanoic acid
CID 61455010
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
CID 55173468
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
CID 143981627
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
CID 61454372

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid (CID 63120963) is 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid?
The InChIKey is MECAXWUMLCVVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8(11(14)15)19(16,17)13-9-3-2-4-10(7-9)18-6-5-12/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid?
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid has a molecular weight of 288.33 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 63120963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).