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

C8H12N4O5S — CID 43513529

IUPAC3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESNC(=O)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C8H12N4O5S/c9-7(13)4-11-18(16,17)6-3-10-12(5-6)2-1-8(14)15/h3,5,11H,1-2,4H2,(H2,9,13)(H,14,15)
InChIKeyQKKYETVBUBBQKJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP-1.88
Rot. Bonds7

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

3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513529) has the molecular formula C8H12N4O5S and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513529
Molecular FormulaC8H12N4O5S
Molecular Weight276.27 g/mol
Exact Mass276.05
IUPAC Name3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESNC(=O)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C8H12N4O5S/c9-7(13)4-11-18(16,17)6-3-10-12(5-6)2-1-8(14)15/h3,5,11H,1-2,4H2,(H2,9,13)(H,14,15)
InChIKeyQKKYETVBUBBQKJ-UHFFFAOYSA-N
XLogP-1.88
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 ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513529) is 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is NC(=O)CNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QKKYETVBUBBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5S/c9-7(13)4-11-18(16,17)6-3-10-12(5-6)2-1-8(14)15/h3,5,11H,1-2,4H2,(H2,9,13)(H,14,15).
What are the key properties of 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 276.27 g/mol, XLogP of -1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).