2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid

C6H9N3O5S — CID 104709642

IUPAC2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
SMILESCn1nccc1S(=O)(=O)NOCC(=O)O
InChIInChI=1S/C6H9N3O5S/c1-9-5(2-3-7-9)15(12,13)8-14-4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyOFSPNMCEOYLVRT-UHFFFAOYSA-N
MW235.22 g/mol
LogP-1.29
Rot. Bonds5

About 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid

2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid (PubChem CID 104709642) has the molecular formula C6H9N3O5S and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
PubChem CID104709642
Molecular FormulaC6H9N3O5S
Molecular Weight235.22 g/mol
Exact Mass235.03
IUPAC Name2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
SMILESCn1nccc1S(=O)(=O)NOCC(=O)O
InChIInChI=1S/C6H9N3O5S/c1-9-5(2-3-7-9)15(12,13)8-14-4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyOFSPNMCEOYLVRT-UHFFFAOYSA-N
XLogP-1.29
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
2-(2-methylpyrazol-3-yl)oxyacetic acid
CID 84650313
methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 104710389
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706
2-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 104709662
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid (CID 104709642) is 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid is Cn1nccc1S(=O)(=O)NOCC(=O)O.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid?
The InChIKey is OFSPNMCEOYLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O5S/c1-9-5(2-3-7-9)15(12,13)8-14-4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11).
What are the key properties of 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid?
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid has a molecular weight of 235.22 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 104709642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).