2-[(2-aminooxyacetyl)amino]ethanesulfonic acid

C4H10N2O5S — CID 88534933

IUPAC2-[(2-aminooxyacetyl)amino]ethanesulfonic acid
SMILESNOCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C4H10N2O5S/c5-11-3-4(7)6-1-2-12(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10)
InChIKeyRENVDNAEIHLZOO-UHFFFAOYSA-N
MW198.20 g/mol
LogP-2.12
Rot. Bonds5

About 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid

2-[(2-aminooxyacetyl)amino]ethanesulfonic acid (PubChem CID 88534933) has the molecular formula C4H10N2O5S and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[(2-aminooxyacetyl)amino]ethanesulfonic acid
PubChem CID88534933
Molecular FormulaC4H10N2O5S
Molecular Weight198.20 g/mol
Exact Mass198.03
IUPAC Name2-[(2-aminooxyacetyl)amino]ethanesulfonic acid
SMILESNOCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C4H10N2O5S/c5-11-3-4(7)6-1-2-12(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10)
InChIKeyRENVDNAEIHLZOO-UHFFFAOYSA-N
XLogP-2.12
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid?
The IUPAC name of 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid (CID 88534933) is 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid.
What is the SMILES notation for 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid?
The canonical SMILES for 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid is NOCC(=O)NCCS(=O)(=O)O.
What is the InChIKey of 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid?
The InChIKey is RENVDNAEIHLZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O5S/c5-11-3-4(7)6-1-2-12(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10).
What are the key properties of 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid?
2-[(2-aminooxyacetyl)amino]ethanesulfonic acid has a molecular weight of 198.20 g/mol, XLogP of -2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminooxyacetyl)amino]ethanesulfonic acid is sourced from PubChem (CID 88534933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).