5-Benzyloxy-pyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid 1-tert-butyl ester

HCID 68425151
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(C(=O)O)cc2cc(OCc3ccccc3)cnc21
InChIKey
LRWWRURFPVTIAL-UHFFFAOYSA-N
Molecular formula
C20H20N2O5
Average molar mass
368.4 g/mol

Names & identifiers

Preferred name
5-Benzyloxy-pyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid 1-tert-butyl ester
IUPAC
1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxypyrrolo[2,3-b]pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL2877718LRWWRURFPVTIAL-UHFFFAOYSA-N5-Benzyloxy-pyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid 1-tert-butyl ester

Database identifiers

PubChem CID
68425151

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
90.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

Related reactions

14 records
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Compound notes

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