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n-Hexanoyl-dl-leucine (HCID 559867)|Huagongshe
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Compound
n-Hexanoyl-dl-leucine
HCID
559867
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCC(=O)NC(CC(C)C)C(=O)O
InChIKey
AGYKPEGQFMCGNK-UHFFFAOYSA-N
Molecular formula
C12H23NO3
Average molar mass
229.32 g/mol
Names & identifiers
Preferred name
n-Hexanoyl-dl-leucine
IUPAC
2-(hexanoylamino)-4-methylpentanoic acid
Names & synonyms
n-Hexanoylleucine #
n-Hexanoyl-dl-leucine
SCHEMBL9664224
AGYKPEGQFMCGNK-UHFFFAOYSA-N
AKOS009109339
Database identifiers
PubChem CID
559867
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
16
Formal charge
0
Complexity
226
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Show all 8 / 8
Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
166088
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
2150279
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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