1,4-Dihydrophenylalanine
Basic information
- CAS
334024-42-9- Standard SMILES
N[C@@H](CC1C=CCC=C1)C(=O)O- InChIKey
IZKPUUZAGQLNCR-QMMMGPOBSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,4-Dihydrophenylalanine
- IUPAC
- (2S)-2-amino-3-cyclohexa-2,5-dien-1-ylpropanoic acid
- English name
- 2,5-Cyclohexadiene-1-propanoicacid,alpha-amino-,(alphaS)-(9CI)
- Molecular formula
- C9H13NO2
- Molecular weight
- 0
Names & synonyms
1,4-dihydrophenylalanineRefChem:9069783-(2,5-Cyclohexadienyl)-L-alanine334024-42-9SCHEMBL13957331DB-222796(2S)-2-amino-3-cyclohexa-2,5-dien-1-ylpropanoic acid(2S)-2-amino-3-(1-cyclohexa-2,5-dienyl)propanoic acid2,5-Cyclohexadiene-1-propanoicacid,alpha-amino-,(alphaS)-(9CI)
Database identifiers
- CAS
334024-42-9- Nikkaji
- J74.979F
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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