Basic information
- CAS
35593-55-6- Standard SMILES
CC(=O)N[C@H](C=O)Cc1ccccc1- InChIKey
XFCMVVZOTZZXLW-NSHDSACASA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- N-acetylphenylalanine aldehyde
- IUPAC
- N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
Names & synonyms
N-Acetylphenylalanine aldehyde35593-55-6N-Acetyl-L-phenylalanine aldehydeAcetamide, N-(1-formyl-2-phenylethyl)-, (S)-RefChem:162794(S)-N-(1-Oxo-3-phenylpropan-2-yl)acetamideSCHEMBL334424SCHEMBL2269431DTXSID60956973XFCMVVZOTZZXLW-NSHDSACASA-NCS-0380708N-(1-Oxo-3-phenylpropan-2-yl)ethanimidic acid
Show more names
N-[(2S)-1-Oxo-3-phenylpropan-2-yl]ethanimidic acid
Database identifiers
- CAS
35593-55-6- PubChem CID
- 193217
- DTXSID
DTXSID60956973- Nikkaji
- J3.685.126K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Related reactions
7 records
Compound notes
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