Basic information
- CAS
71641-96-8- Standard SMILES
CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1O- InChIKey
ZJUDATKFUUSUFY-KWQFWETISA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- N-(2-Hydroxyphenyl)-L-isoleucinamide
- IUPAC
- (2S,3S)-2-amino-N-(2-hydroxyphenyl)-3-methylpentanamide
Names & synonyms
DTXSID301171798N-(2-Hydroxyphenyl)-L-isoleucinamideAKOS013688894Pentanamide, 2-amino-N-(2-hydroxyphenyl)-3-methyl-, [S-(R*,R*)]-71641-96-8
Database identifiers
- CAS
71641-96-8- PubChem CID
- 64366285
- DTXSID
DTXSID301171798
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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