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Ethyl 2-(2-(tert-butoxycarbonylamino)pyridin-4-yl)propanoate

HCID 58532575
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C(C)c1ccnc(NC(=O)OC(C)(C)C)c1
InChIKey
SWJVPBNDGTWRCT-UHFFFAOYSA-N
Molecular formula
C15H22N2O4
Average molar mass
294.35 g/mol

Names & identifiers

Preferred name
Ethyl 2-(2-(tert-butoxycarbonylamino)pyridin-4-yl)propanoate
IUPAC
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate

Names & synonyms

SCHEMBL2520226SCHEMBL13332665SWJVPBNDGTWRCT-UHFFFAOYSA-NEthyl 2-(2-(tert-butoxycarbonylamino)pyridin-4-yl)propanoate

Database identifiers

PubChem CID
58532575

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
77.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
365

Related reactions

3 records
New reaction record
HRID 1140928 reaction equation
HRID 1140928As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2069058 reaction equation
HRID 2069058As productuspto-grants-2012_10
HRID 2069059 reaction equation
HRID 2069059As reactantuspto-grants-2012_10

Compound notes

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