(S)-2-Benzamido-3-(3-fluorophenyl)propanoic acid
Basic information
- CAS
69935-09-7- Standard SMILES
O=C(N[C@@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1- InChIKey
PBKKFAXUWHUKAJ-AWEZNQCLSA-N- Molecular formula
- C16H14FNO3
- Average molar mass
- 287.28 g/mol
- Monoisotopic mass
- 287.09577147
Names & identifiers
- Preferred name
- (S)-2-Benzamido-3-(3-fluorophenyl)propanoic acid
- IUPAC
- (2S)-2-benzamido-3-(3-fluorophenyl)propanoic acid
Names & synonyms
Phenylalanine, N-benzoyl-3-fluoro-(S)-2-Benzamido-3-(3-fluorophenyl)propanoic acidNSC 305267A1-52918
Database identifiers
- CAS
69935-09-7- PubChem CID
- 155443
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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