Basic information
- CAS
156-56-9- Standard SMILES
C=C1C[C@@H]1C[C@H]([NH3+])C(=O)[O-]- InChIKey
OOJZCXFXPZGUBJ-RITPCOANSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Overview
(2S,4R)-hypoglycin A has been reported in Blighia sapida with data available.
Names & identifiers
- Preferred name
- (2S)-2-azaniumyl-3-[(1R)-2-methylidenecyclopropyl]propanoate
- IUPAC
- (2S)-2-azaniumyl-3-[(1R)-2-methylidenecyclopropyl]propanoate
Database identifiers
- CAS
156-56-9- PubChem CID
- 40468186
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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