3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

C7H11N3O5S — CID 104709509

IUPAC3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H11N3O5S/c1-10-6(2-3-8-10)16(14,15)9-5(4-11)7(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13)
InChIKeyYIVXEXLDBQBFAG-UHFFFAOYSA-N
MW249.25 g/mol
LogP-1.86
Rot. Bonds5

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

3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (PubChem CID 104709509) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
PubChem CID104709509
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H11N3O5S/c1-10-6(2-3-8-10)16(14,15)9-5(4-11)7(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13)
InChIKeyYIVXEXLDBQBFAG-UHFFFAOYSA-N
XLogP-1.86
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (CID 104709509) is 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is Cn1nccc1S(=O)(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is YIVXEXLDBQBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5S/c1-10-6(2-3-8-10)16(14,15)9-5(4-11)7(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13).
What are the key properties of 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 249.25 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 104709509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).