methyl (2S,3S)-2-amino-3-hydroxybutanoate
Basic information
- CAS
79617-28-0- Standard SMILES
COC(=O)[C@@H](N)[C@H](C)O- InChIKey
TVHCXXXXQNWQLP-IMJSIDKUSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.07389321
Names & identifiers
- Preferred name
- methyl (2S,3S)-2-amino-3-hydroxybutanoate
- IUPAC
- methyl (2S,3S)-2-amino-3-hydroxybutanoate
- English name
- L-allo-Threoninemethylester
- Molecular formula
- C5H11NO3
- Molecular weight
- 133.15
Names & synonyms
methyl (2S,3S)-2-amino-3-hydroxybutanoateH-Allo-Thr-OmeMethyl L-allothreoninate68331-48-679617-28-0rel-Methyl (2S,3S)-2-amino-3-hydroxybutanoaterel-Methyl L-allothreoninateL-Allothreonine, methyl esterSCHEMBL254735TVHCXXXXQNWQLP-IMJSIDKUSA-NDTXSID801308164AKOS006275517
Show more names
L-allo-Threoninemethylester
(2S,3S)-methyl 2-amino-3-hydroxybutanoateEN300-188721
Database identifiers
- CAS
79617-28-0- PubChem CID
- 7349652
- DTXSID
DTXSID801308164- Nikkaji
- J1.165.372C
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Related reactions
2 records
Compound notes
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