[(2-methoxyacetyl)amino] hydrogen sulfate

C3H7NO6S — CID 135378256

IUPAC[(2-methoxyacetyl)amino] hydrogen sulfate
SMILESCOCC(=O)NOS(=O)(=O)O
InChIInChI=1S/C3H7NO6S/c1-9-2-3(5)4-10-11(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)
InChIKeyZVIDBBHBBAUDKO-UHFFFAOYSA-N
MW185.16 g/mol
LogP-1.52
Rot. Bonds4

About [(2-methoxyacetyl)amino] hydrogen sulfate

[(2-methoxyacetyl)amino] hydrogen sulfate (PubChem CID 135378256) has the molecular formula C3H7NO6S and a molecular weight of 185.16 g/mol. Its IUPAC name is [(2-methoxyacetyl)amino] hydrogen sulfate.

Molecular Properties

Compound Name[(2-methoxyacetyl)amino] hydrogen sulfate
PubChem CID135378256
Molecular FormulaC3H7NO6S
Molecular Weight185.16 g/mol
Exact Mass185.00
IUPAC Name[(2-methoxyacetyl)amino] hydrogen sulfate
SMILESCOCC(=O)NOS(=O)(=O)O
InChIInChI=1S/C3H7NO6S/c1-9-2-3(5)4-10-11(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)
InChIKeyZVIDBBHBBAUDKO-UHFFFAOYSA-N
XLogP-1.52
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
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-methoxyacetyl)amino] hydrogen sulfate?
The IUPAC name of [(2-methoxyacetyl)amino] hydrogen sulfate (CID 135378256) is [(2-methoxyacetyl)amino] hydrogen sulfate.
What is the SMILES notation for [(2-methoxyacetyl)amino] hydrogen sulfate?
The canonical SMILES for [(2-methoxyacetyl)amino] hydrogen sulfate is COCC(=O)NOS(=O)(=O)O.
What is the InChIKey of [(2-methoxyacetyl)amino] hydrogen sulfate?
The InChIKey is ZVIDBBHBBAUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO6S/c1-9-2-3(5)4-10-11(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8).
What are the key properties of [(2-methoxyacetyl)amino] hydrogen sulfate?
[(2-methoxyacetyl)amino] hydrogen sulfate has a molecular weight of 185.16 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxyacetyl)amino] hydrogen sulfate is sourced from PubChem (CID 135378256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).