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Compound
N-octanoylglycylglycine
HCID
312837
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCC(=O)NCC(=O)NCC(=O)O
InChIKey
PIJJUTPPWHEMBR-UHFFFAOYSA-N
Molecular formula
C12H22N2O4
Average molar mass
258.31 g/mol
Names & identifiers
Preferred name
N-octanoylglycylglycine
IUPAC
2-[[2-(octanoylamino)acetyl]amino]acetic acid
Names & synonyms
NSC224461
N-octanoylglycylglycine
SCHEMBL4635658
PIJJUTPPWHEMBR-UHFFFAOYSA-N
NSC-224461
Database identifiers
PubChem CID
312837
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
95.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
18
Formal charge
0
Complexity
279
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
934631
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1249218
As reactant
uspto-grants-1986_12
Compound notes
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