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

C7H11N3O5S — CID 102690640

IUPAC3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccn[nH]1)C(=O)O
InChIInChI=1S/C7H11N3O5S/c1-4(11)6(7(12)13)10-16(14,15)5-2-3-8-9-5/h2-4,6,10-11H,1H3,(H,8,9)(H,12,13)
InChIKeyDUAKTIXSWBFVOB-UHFFFAOYSA-N
MW249.25 g/mol
LogP-1.48
Rot. Bonds5

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

3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (PubChem CID 102690640) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
PubChem CID102690640
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccn[nH]1)C(=O)O
InChIInChI=1S/C7H11N3O5S/c1-4(11)6(7(12)13)10-16(14,15)5-2-3-8-9-5/h2-4,6,10-11H,1H3,(H,8,9)(H,12,13)
InChIKeyDUAKTIXSWBFVOB-UHFFFAOYSA-N
XLogP-1.48
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
(2S)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690747
(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690951
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
(2S)-5-methoxy-5-oxo-2-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 114005092
3-hydroxy-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294291
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (CID 102690640) is 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is CC(O)C(NS(=O)(=O)c1ccn[nH]1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The InChIKey is DUAKTIXSWBFVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5S/c1-4(11)6(7(12)13)10-16(14,15)5-2-3-8-9-5/h2-4,6,10-11H,1H3,(H,8,9)(H,12,13).
What are the key properties of 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid has a molecular weight of 249.25 g/mol, XLogP of -1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 102690640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).