4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid

C8H13N3O5S — CID 55075853

IUPAC4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
SMILESCOCCC(NS(=O)(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-16-3-2-7(8(12)13)11-17(14,15)6-4-9-10-5-6/h4-5,7,11H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyHLEKTZXXKJZCCE-UHFFFAOYSA-N
MW263.27 g/mol
LogP-0.82
Rot. Bonds7

About 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid

4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid (PubChem CID 55075853) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
PubChem CID55075853
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
SMILESCOCCC(NS(=O)(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-16-3-2-7(8(12)13)11-17(14,15)6-4-9-10-5-6/h4-5,7,11H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyHLEKTZXXKJZCCE-UHFFFAOYSA-N
XLogP-0.82
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-5-oxo-2-(1H-pyrazol-4-ylsulfonylamino)pentanoic acid
CID 82786695
(2S)-4-methoxy-4-oxo-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55136441
(2S)-3-phenyl-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
CID 61136519
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
CID 54937478
2-[(4-ethoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478985
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478269
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
2-[(3,5-dimethylphenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086194
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid (CID 55075853) is 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid is COCCC(NS(=O)(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid?
The InChIKey is HLEKTZXXKJZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-16-3-2-7(8(12)13)11-17(14,15)6-4-9-10-5-6/h4-5,7,11H,2-3H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid?
4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid has a molecular weight of 263.27 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 55075853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).