2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid

C12H16N2O6S — CID 11109866

IUPAC2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCOC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c13-21(18,19)10-3-1-9(2-4-10)5-6-20-12(17)8-14-7-11(15)16/h1-4,14H,5-8H2,(H,15,16)(H2,13,18,19)
InChIKeyIQWRDVFPVZXBSF-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.91
Rot. Bonds8

About 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid

2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid (PubChem CID 11109866) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
PubChem CID11109866
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCOC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c13-21(18,19)10-3-1-9(2-4-10)5-6-20-12(17)8-14-7-11(15)16/h1-4,14H,5-8H2,(H,15,16)(H2,13,18,19)
InChIKeyIQWRDVFPVZXBSF-UHFFFAOYSA-N
XLogP-0.91
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid (CID 11109866) is 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid is NS(=O)(=O)c1ccc(CCOC(=O)CNCC(=O)O)cc1.
What is the InChIKey of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
The InChIKey is IQWRDVFPVZXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c13-21(18,19)10-3-1-9(2-4-10)5-6-20-12(17)8-14-7-11(15)16/h1-4,14H,5-8H2,(H,15,16)(H2,13,18,19).
What are the key properties of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid has a molecular weight of 316.34 g/mol, XLogP of -0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid is sourced from PubChem (CID 11109866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).