(2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid

C6H9N3O5S — CID 102690742

IUPAC(2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O5S/c10-3-4(6(11)12)9-15(13,14)5-1-2-7-8-5/h1-2,4,9-10H,3H2,(H,7,8)(H,11,12)/t4-/m0/s1
InChIKeyPEJTWAABQULGCS-BYPYZUCNSA-N
MW235.22 g/mol
LogP-1.87
Rot. Bonds5

About (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid

(2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid (PubChem CID 102690742) has the molecular formula C6H9N3O5S and a molecular weight of 235.22 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
PubChem CID102690742
Molecular FormulaC6H9N3O5S
Molecular Weight235.22 g/mol
Exact Mass235.03
IUPAC Name(2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O5S/c10-3-4(6(11)12)9-15(13,14)5-1-2-7-8-5/h1-2,4,9-10H,3H2,(H,7,8)(H,11,12)/t4-/m0/s1
InChIKeyPEJTWAABQULGCS-BYPYZUCNSA-N
XLogP-1.87
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid (CID 102690742) is (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid is O=C(O)[C@H](CO)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The InChIKey is PEJTWAABQULGCS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3O5S/c10-3-4(6(11)12)9-15(13,14)5-1-2-7-8-5/h1-2,4,9-10H,3H2,(H,7,8)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
(2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid has a molecular weight of 235.22 g/mol, XLogP of -1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 102690742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).