Basic information
- CAS
819863-22-4- Standard SMILES
C[C@H](NCCCS(=O)(=O)O)C(N)=O- InChIKey
QUPUQBXLASQGMK-YFKPBYRVSA-N- Molecular formula
- C6H14N2O4S
- Average molar mass
- 210.25 g/mol
- Monoisotopic mass
- 210.06742811
Names & identifiers
- Preferred name
- 3-{[(2S)-1-Amino-1-oxopropan-2-yl]amino}propane-1-sulfonic acid
- IUPAC
- 3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]propane-1-sulfonic acid
Names & synonyms
819863-22-4SCHEMBL10230705DTXSID605811683-{[(2S)-1-Amino-1-oxopropan-2-yl]amino}propane-1-sulfonic acid
Database identifiers
- CAS
819863-22-4- PubChem CID
- 16035948
- DTXSID
DTXSID60581168
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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