Phenylalanine 4-hydroxybutyl ester
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Basic information
- CAS
136680-70-1- Standard SMILES
N[C@@H](Cc1ccccc1)C(=O)OCCCCO- InChIKey
RPIZQTCVTPOZFI-LBPRGKRZSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- Phenylalanine 4-hydroxybutyl ester
- IUPAC
- 4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
- English name
- phenylalanine 4-hydroxybutyl ester
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
Phe-hbePhenylalanine 4-hydroxybutyl ester136680-70-1DTXSID00159885RefChem:173002DTXCID90823764-Hydroxybutyl L-phenylalaninateL-Phenylalanine, 4-hydroxybutyl ester4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
Database identifiers
- CAS
136680-70-1- PubChem CID
- 3035673
- DTXSID
DTXSID00159885
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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