(2S,3S)-N-[(3,4-methylenedioxy)phenyl]-3-amino-2-hydroxyheptanamide
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Basic information
- Standard SMILES
CCCC[C@H](N)[C@H](O)C(=O)Nc1ccc2c(c1)OCO2- InChIKey
LRUJJKRAWYOIMM-GWCFXTLKSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-N-[(3,4-methylenedioxy)phenyl]-3-amino-2-hydroxyheptanamide
- IUPAC
- (2S,3S)-3-amino-N-(1,3-benzodioxol-5-yl)-2-hydroxyheptanamide
Names & synonyms
SCHEMBL1486246LRUJJKRAWYOIMM-GWCFXTLKSA-N(2S,3S)-N-[(3,4-methylenedioxy)phenyl]-3-amino-2-hydroxyheptanamide
Database identifiers
- PubChem CID
- 59655569
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
3 records
Compound notes
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