(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid

C8H13N3O5S — CID 104935239

IUPAC(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5(12)7(8(13)14)10-17(15,16)6-3-4-9-11(6)2/h3-5,7,10,12H,1-2H3,(H,13,14)/t5-,7+/m1/s1
InChIKeyZKWJMPKUQOCLJA-VDTYLAMSSA-N
MW263.28 g/mol
LogP-1.47
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid

(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid (PubChem CID 104935239) has the molecular formula C8H13N3O5S and a molecular weight of 263.28 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
PubChem CID104935239
Molecular FormulaC8H13N3O5S
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5(12)7(8(13)14)10-17(15,16)6-3-4-9-11(6)2/h3-5,7,10,12H,1-2H3,(H,13,14)/t5-,7+/m1/s1
InChIKeyZKWJMPKUQOCLJA-VDTYLAMSSA-N
XLogP-1.47
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid (CID 104935239) is (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
The InChIKey is ZKWJMPKUQOCLJA-VDTYLAMSSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-5(12)7(8(13)14)10-17(15,16)6-3-4-9-11(6)2/h3-5,7,10,12H,1-2H3,(H,13,14)/t5-,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid has a molecular weight of 263.28 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104935239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).