N-Caprylyl-DL-phenylalanine
Basic information
- CAS
125572-71-6- Standard SMILES
CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)O- InChIKey
XNWZOFXSPQXPRE-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Names & identifiers
- Preferred name
- N-Caprylyl-DL-phenylalanine
- IUPAC
- 2-(octanoylamino)-3-phenylpropanoic acid
Names & synonyms
N-Caprylyl-DL-phenylalanineN-(1-Oxooctyl)phenylalanineN-Caprylylphenylalanine, DL-SCHEMBL1815009ZB754W8B5APhenylalanine, N-(1-oxooctyl)-(2RS)-2-Octanamido-3-phenylpropanoic acid125572-71-6
Database identifiers
- CAS
125572-71-6- PubChem CID
- 14626366
- UNII
- ZB754W8B5A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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