3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionic acid tert-butyl ester

HCID 69489201
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccccn2)c1
InChIKey
AEYBBZRWQPBSDJ-UHFFFAOYSA-N
Molecular formula
C18H19NO3
Average molar mass
297.3 g/mol

Names & identifiers

Preferred name
3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionic acid tert-butyl ester
IUPAC
tert-butyl 3-oxo-3-(3-pyridin-2-ylphenyl)propanoate

Names & synonyms

SCHEMBL5562300AEYBBZRWQPBSDJ-UHFFFAOYSA-NDB-388382tert-butyl 3-oxo-3-(3-(pyridin-2-yl)phenyl)propanoate3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionic acid tert-butyl ester579474-73-0

Database identifiers

PubChem CID
69489201

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
56.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22

Related reactions

26 records
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Compound notes

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