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

C12H17N3O5S — CID 11099090

IUPAC2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C12H17N3O5S/c13-21(19,20)10-3-1-9(2-4-10)5-6-15-11(16)7-14-8-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18)(H2,13,19,20)
InChIKeyLDBNURSRUZWGJX-UHFFFAOYSA-N
MW315.35 g/mol
LogP-1.33
Rot. Bonds8

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

2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid (PubChem CID 11099090) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid
PubChem CID11099090
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C12H17N3O5S/c13-21(19,20)10-3-1-9(2-4-10)5-6-15-11(16)7-14-8-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18)(H2,13,19,20)
InChIKeyLDBNURSRUZWGJX-UHFFFAOYSA-N
XLogP-1.33
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid (CID 11099090) is 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid is NS(=O)(=O)c1ccc(CCNC(=O)CNCC(=O)O)cc1.
What is the InChIKey of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
The InChIKey is LDBNURSRUZWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c13-21(19,20)10-3-1-9(2-4-10)5-6-15-11(16)7-14-8-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18)(H2,13,19,20).
What are the key properties of 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid has a molecular weight of 315.35 g/mol, XLogP of -1.33, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 11099090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).