DL-Phenylalanine, N-(3-oxo-3-phenylpropyl)-
Basic information
- CAS
85995-02-4- Standard SMILES
O=C(CCN[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1- InChIKey
MXXIYWNKNIKJAX-INIZCTEOSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- DL-Phenylalanine, N-(3-oxo-3-phenylpropyl)-
- IUPAC
- (2S)-2-[(3-oxo-3-phenylpropyl)amino]-3-phenylpropanoic acid
Names & synonyms
DL-Phenylalanine, N-(3-oxo-3-phenylpropyl)-BRN 3980359N-(3-Oxo-3-phenylpropyl)-DL-phenylalanineN-(beta-Benzoylethyl)-DL-beta-phenyl-alpha-alanine85995-02-4DTXSID10235326RefChem:339313DTXCID10157817N-(3-Oxo-3-phenylpropyl)-L-phenylalanine
Database identifiers
- CAS
85995-02-4- PubChem CID
- 3070185
- DTXSID
DTXSID10235326
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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