AO-310/25058001
Basic information
- CAS
46460-23-5- Standard SMILES
CCOC(=O)[C@@H](N)CCc1ccccc1- InChIKey
WFLQXECQLHZKMV-NSHDSACASA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- AO-310/25058001
- IUPAC
- ethyl (2S)-2-amino-4-phenylbutanoate
- English name
- L-Homophenylalanine ethyl ester
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
46460-23-5AO-310/25058001DTXSID70356187RefChem:319916DTXCID80307246ethyl (2S)-2-amino-4-phenylbutanoate(S)-ethyl 2-amino-4-phenylbutanoatel-homophenylalanine ethyl ester(S)-ethyl2-amino-4-phenylbutanoateL-Homophenylalanine Ethylester Hydrochloridehomophenylalanine ethyl esterSCHEMBL2635410
Show more names
Homophenyl-L-alanine ethyl esterEthyl (S)-2-amino-4-phenylbutyrate(S)-ethyl 2-amino-4-phenylbutanoate-d5Benzenebutanoic acid, α-amino-, ethyl ester, (αS)-
SBB093906AKOS015843297AT45955ETHYL (S)-2-AMINO-4-PHENYLBUTANOATEEN300-963305Ethyl (2S)-2-amino-4-phenylbutanoate, AldrichCPR
Database identifiers
- CAS
46460-23-5- PubChem CID
- 820276
- DTXSID
DTXSID70356187- Nikkaji
- J732.379D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 311.4 · 311.4±35.0 °C(Predicted)
- Density
- 1.058 · 1.058
- pka
- 7.68 · 7.68±0.35(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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