Basic information
- CAS
1213068-46-2- Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)nc1- InChIKey
RUJNOFDNYSMIFF-AWEZNQCLSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- Methyl 3-[6-(benzyloxy)pyridin-3-yl]-L-alaninate
- IUPAC
- methyl (2S)-2-amino-3-(6-phenylmethoxy-3-pyridinyl)propanoate
Names & synonyms
DTXSID401191505Methyl 3-[6-(benzyloxy)pyridin-3-yl]-L-alaninateMethyl (I+/-S)-I+/--amino-6-(phenylmethoxy)-3-pyridinepropanoate1213068-46-2
Database identifiers
- CAS
1213068-46-2- PubChem CID
- 124635205
- DTXSID
DTXSID401191505
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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