3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid

C8H12N4O5S — CID 43709814

IUPAC3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
SMILESNC(=O)Cn1cc(NS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C8H12N4O5S/c9-7(13)5-12-4-6(3-10-12)11-18(16,17)2-1-8(14)15/h3-4,11H,1-2,5H2,(H2,9,13)(H,14,15)
InChIKeyZAPWWNAOBVLZEF-UHFFFAOYSA-N
MW276.27 g/mol
LogP-1.42
Rot. Bonds7

About 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid

3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid (PubChem CID 43709814) has the molecular formula C8H12N4O5S and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
PubChem CID43709814
Molecular FormulaC8H12N4O5S
Molecular Weight276.27 g/mol
Exact Mass276.05
IUPAC Name3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
SMILESNC(=O)Cn1cc(NS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C8H12N4O5S/c9-7(13)5-12-4-6(3-10-12)11-18(16,17)2-1-8(14)15/h3-4,11H,1-2,5H2,(H2,9,13)(H,14,15)
InChIKeyZAPWWNAOBVLZEF-UHFFFAOYSA-N
XLogP-1.42
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
CID 60934478
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]thiophene-3-carboxylic acid
CID 43612176
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide
CID 55848395
2-[4-[(2-chloro-3-pyridinyl)sulfonylamino]pyrazol-1-yl]acetamide
CID 61051057
3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
CID 62904166

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid (CID 43709814) is 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid is NC(=O)Cn1cc(NS(=O)(=O)CCC(=O)O)cn1.
What is the InChIKey of 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid?
The InChIKey is ZAPWWNAOBVLZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5S/c9-7(13)5-12-4-6(3-10-12)11-18(16,17)2-1-8(14)15/h3-4,11H,1-2,5H2,(H2,9,13)(H,14,15).
What are the key properties of 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid?
3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid has a molecular weight of 276.27 g/mol, XLogP of -1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43709814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).