Basic information
- Standard SMILES
C=CC[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c1ccccc1- InChIKey
GYYAAHOAKFWTKR-HOTGVXAUSA-N- Molecular formula
- C19H27NO4
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 3-((R)-2-hydroxy-2-phenylethylcarbamoyl)hex-5-enoate
- IUPAC
- tert-butyl (3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]hex-5-enoate
Names & synonyms
SCHEMBL2193096GYYAAHOAKFWTKR-HOTGVXAUSA-Ntert-Butyl (S)-3-[[(R)-2-Hydroxy-2-phenylethyl]carbamoyl]hex-5-enoate1192277-10-3SY455849(S)-tert-butyl 3-(((R)-2-hydroxy-2-phenylethyl)carbamoyl)hex-5-enoate(S)-tert-butyl 3-((R)-2-hydroxy-2-phenylethylcarbamoyl)hex-5-enoate
Database identifiers
- PubChem CID
- 67312340
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
2 records
Compound notes
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