2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid

C10H13N3O5S — CID 11077028

IUPAC2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CNCC(=O)O
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)8-4-2-1-3-7(8)13-9(14)5-12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)(H2,11,17,18)
InChIKeyWVHGVHPTPWFFOJ-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.05
Rot. Bonds6

About 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid

2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid (PubChem CID 11077028) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid
PubChem CID11077028
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CNCC(=O)O
InChIInChI=1S/C10H13N3O5S/c11-19(17,18)8-4-2-1-3-7(8)13-9(14)5-12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)(H2,11,17,18)
InChIKeyWVHGVHPTPWFFOJ-UHFFFAOYSA-N
XLogP-1.05
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.05
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-sulfamoylanilino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid (CID 11077028) is 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid is NS(=O)(=O)c1ccccc1NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
The InChIKey is WVHGVHPTPWFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-19(17,18)8-4-2-1-3-7(8)13-9(14)5-12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)(H2,11,17,18).
What are the key properties of 2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid has a molecular weight of 287.30 g/mol, XLogP of -1.05, 6 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-sulfamoylanilino)ethyl]amino]acetic acid is sourced from PubChem (CID 11077028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).