3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid

C8H13N3O4S — CID 104709527

IUPAC3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H13N3O4S/c1-6(5-8(12)13)10-16(14,15)7-3-4-9-11(7)2/h3-4,6,10H,5H2,1-2H3,(H,12,13)
InChIKeyTUVAWRHUYDFODN-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.44
Rot. Bonds5

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

3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid (PubChem CID 104709527) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
PubChem CID104709527
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H13N3O4S/c1-6(5-8(12)13)10-16(14,15)7-3-4-9-11(7)2/h3-4,6,10H,5H2,1-2H3,(H,12,13)
InChIKeyTUVAWRHUYDFODN-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
CID 106139021
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
(2S)-5-ethoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039415

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid (CID 104709527) is 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid is CC(CC(=O)O)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
The InChIKey is TUVAWRHUYDFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-6(5-8(12)13)10-16(14,15)7-3-4-9-11(7)2/h3-4,6,10H,5H2,1-2H3,(H,12,13).
What are the key properties of 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid?
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid has a molecular weight of 247.28 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104709527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).