methyl (2R,3S)-2-benzamido-3-hydroxybutanoate

HCID 4455054

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C(NC(=O)c1ccccc1)C(C)O
InChIKey: KHOWDUMYRBCHAC-UHFFFAOYSA-N
Molecular formula: C12H15NO4
Average molar mass: 237.25 g/mol

Names & identifiers

Preferred name: methyl (2R,3S)-2-benzamido-3-hydroxybutanoate
IUPAC: methyl 2-benzamido-3-hydroxybutanoate

Names & synonyms

methyl (2R,3S)-2-benzamido-3-hydroxybutanoateSCHEMBL1109091HMS3348H17N-benzoyl-dl-threonine methyl estermethyl N-(phenylcarbonyl)threoninateSTL427193AKOS025261254methyl 2-benzamido-3-hydroxy-butanoateDB-053642DB-056391

Database identifiers

PubChem CID: 4455054
Nikkaji: J1.354.045D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 274

Related reactions

3 records

New reaction record

HRID 146380As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 819305As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1203043As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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