methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate

C8H13N3O5S — CID 104710350

IUPACmethyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H13N3O5S/c1-11-7(3-4-9-11)17(14,15)10-6(5-12)8(13)16-2/h3-4,6,10,12H,5H2,1-2H3
InChIKeyHHHDRGFSOQQHOA-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.77
Rot. Bonds5

About methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate

methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate (PubChem CID 104710350) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
PubChem CID104710350
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Namemethyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H13N3O5S/c1-11-7(3-4-9-11)17(14,15)10-6(5-12)8(13)16-2/h3-4,6,10,12H,5H2,1-2H3
InChIKeyHHHDRGFSOQQHOA-UHFFFAOYSA-N
XLogP-1.77
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate (CID 104710350) is methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate is COC(=O)C(CO)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
The InChIKey is HHHDRGFSOQQHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-11-7(3-4-9-11)17(14,15)10-6(5-12)8(13)16-2/h3-4,6,10,12H,5H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate?
methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate has a molecular weight of 263.27 g/mol, XLogP of -1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate is sourced from PubChem (CID 104710350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).