2-(prop-2-enylsulfonylamino)oxyacetic acid

C5H9NO5S — CID 79673684

IUPAC2-(prop-2-enylsulfonylamino)oxyacetic acid
SMILESC=CCS(=O)(=O)NOCC(=O)O
InChIInChI=1S/C5H9NO5S/c1-2-3-12(9,10)6-11-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)
InChIKeyUPDYMVMSKYYGCJ-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.89
Rot. Bonds6

About 2-(prop-2-enylsulfonylamino)oxyacetic acid

2-(prop-2-enylsulfonylamino)oxyacetic acid (PubChem CID 79673684) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-(prop-2-enylsulfonylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(prop-2-enylsulfonylamino)oxyacetic acid
PubChem CID79673684
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name2-(prop-2-enylsulfonylamino)oxyacetic acid
SMILESC=CCS(=O)(=O)NOCC(=O)O
InChIInChI=1S/C5H9NO5S/c1-2-3-12(9,10)6-11-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)
InChIKeyUPDYMVMSKYYGCJ-UHFFFAOYSA-N
XLogP-0.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylsulfonylamino)oxyacetic acid?
The IUPAC name of 2-(prop-2-enylsulfonylamino)oxyacetic acid (CID 79673684) is 2-(prop-2-enylsulfonylamino)oxyacetic acid.
What is the SMILES notation for 2-(prop-2-enylsulfonylamino)oxyacetic acid?
The canonical SMILES for 2-(prop-2-enylsulfonylamino)oxyacetic acid is C=CCS(=O)(=O)NOCC(=O)O.
What is the InChIKey of 2-(prop-2-enylsulfonylamino)oxyacetic acid?
The InChIKey is UPDYMVMSKYYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S/c1-2-3-12(9,10)6-11-4-5(7)8/h2,6H,1,3-4H2,(H,7,8).
What are the key properties of 2-(prop-2-enylsulfonylamino)oxyacetic acid?
2-(prop-2-enylsulfonylamino)oxyacetic acid has a molecular weight of 195.20 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylsulfonylamino)oxyacetic acid is sourced from PubChem (CID 79673684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).