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2-(Benzylamino)-3-hydroxybutanoic acid (HCID 4694044)|Huagongshe
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Compound
2-(Benzylamino)-3-hydroxybutanoic acid
HCID
4694044
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
CC(O)C(NCc1ccccc1)C(=O)O
InChIKey
CNVHWCWOUHXSLK-UHFFFAOYSA-N
Molecular formula
C11H15NO3
Average molar mass
209.24 g/mol
Monoisotopic mass
209.10519334
Names & identifiers
Preferred name
2-(Benzylamino)-3-hydroxybutanoic acid
IUPAC
2-(benzylamino)-3-hydroxybutanoic acid
Names & synonyms
SCHEMBL7293707
Database identifiers
PubChem CID
4694044
Properties
Computed structural properties
XLogP
-1.6
Topological polar surface area
69.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
202
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Related reactions
1 records
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As reactant
As product
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As catalyst
As solvent
HRID
674137
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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