2-Amino-3-(methylsulfonimidoyl)propanoic acid
Basic information
- CAS
87862-98-4- Standard SMILES
CS(=N)(=O)CC(N)C(=O)O- InChIKey
WOJQDZIZBWIZEG-UHFFFAOYSA-N- Molecular formula
- C4H10N2O3S
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.04121336
Names & identifiers
- Preferred name
- 2-Amino-3-(methylsulfonimidoyl)propanoic acid
- IUPAC
- 2-amino-3-(methylsulfonimidoyl)propanoic acid
- English name
- L-Alanine, 3-(S-methylsulfonimidoyl)- (9CI)
- Molecular formula
- C4H10N2O3S
- Molecular weight
- 166.2
Names & synonyms
2-amino-3-(methylsulfonimidoyl)propanoic acidDTXSID1031038987862-98-4RefChem:255335DTXCID20261515NSC2265713-(S-Methanesulfonimidoyl)alanineNSC-226571L-Alanine, 3-(S-methylsulfonimidoyl)- (9CI)
Database identifiers
- CAS
87862-98-4- PubChem CID
- 313159
- DTXSID
DTXSID10310389
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 326.243 · 326.243±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.553 · 1.553±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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