2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid

C7H12N4O4S2 — CID 174658776

IUPAC2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid
SMILESNC(CN(Cc1nccs1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C7H12N4O4S2/c8-5(7(12)13)3-11(17(9,14)15)4-6-10-1-2-16-6/h1-2,5H,3-4,8H2,(H,12,13)(H2,9,14,15)
InChIKeyRMIDIVVWKPMMJE-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.44
Rot. Bonds6

About 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid

2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid (PubChem CID 174658776) has the molecular formula C7H12N4O4S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid
PubChem CID174658776
Molecular FormulaC7H12N4O4S2
Molecular Weight280.33 g/mol
Exact Mass280.03
IUPAC Name2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid
SMILESNC(CN(Cc1nccs1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C7H12N4O4S2/c8-5(7(12)13)3-11(17(9,14)15)4-6-10-1-2-16-6/h1-2,5H,3-4,8H2,(H,12,13)(H2,9,14,15)
InChIKeyRMIDIVVWKPMMJE-UHFFFAOYSA-N
XLogP-1.44
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]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 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid (CID 174658776) is 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid is NC(CN(Cc1nccs1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid?
The InChIKey is RMIDIVVWKPMMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S2/c8-5(7(12)13)3-11(17(9,14)15)4-6-10-1-2-16-6/h1-2,5H,3-4,8H2,(H,12,13)(H2,9,14,15).
What are the key properties of 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid?
2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of -1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[sulfamoyl(1,3-thiazol-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 174658776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).