3-{[(2S)-1-Amino-1-oxopropan-2-yl]amino}propane-1-sulfonic acid

Base Information

• Chemical Name: 3-{[(2S)-1-Amino-1-oxopropan-2-yl]amino}propane-1-sulfonic acid
• CAS No.: 819863-22-4
• Molecular Formula: C6H14N2O4S
• DSSTox Substance ID: DTXSID60581168
• Wikidata: Q82472211

Synonyms:819863-22-4;SCHEMBL10230705;DTXSID60581168;3-{[(2S)-1-Amino-1-oxopropan-2-yl]amino}propane-1-sulfonic acid

Chemical Property of 3-{[(2S)-1-Amino-1-oxopropan-2-yl]amino}propane-1-sulfonic acid

Chemical Property:

• XLogP3: -3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 210.06742811
• Heavy Atom Count: 13
• Complexity: 256

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N)NCCCS(=O)(=O)O
• Isomeric SMILES: C[C@@H](C(=O)N)NCCCS(=O)(=O)O

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