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Compound
tert-butyl 3-(1,3-dioxoisoindol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
HCID
178453665
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Basic information
Standard SMILES
CC(C)(C)OC(=O)NC(CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C
InChIKey
VSEWFDVHOYYAQT-UHFFFAOYSA-N
Molecular formula
C20H26N2O6
Average molar mass
390.4 g/mol
Monoisotopic mass
390.17908655
Names & identifiers
IUPAC
tert-butyl 3-(1,3-dioxoisoindol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Database identifiers
PubChem CID
22596221
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Formal charge
0
Complexity
622
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HRID
1144854
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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