N-(3,5-di-t-butyl-4-hydroxycinnamyl)serine methyl ester

HCID 54523948
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Basic information

Standard SMILES
COC(=O)[C@H](CO)NCC=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
YRUGAHLSCOQVPC-KRWDZBQOSA-N
Molecular formula
C21H33NO4
Average molar mass
363.5 g/mol
Monoisotopic mass
363.24095853

Names & identifiers

Preferred name
N-(3,5-di-t-butyl-4-hydroxycinnamyl)serine methyl ester
IUPAC
methyl (2S)-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enylamino]-3-hydroxypropanoate

Names & synonyms

SCHEMBL9311194YRUGAHLSCOQVPC-KRWDZBQOSA-NN-(3,5-di-t-butyl-4-hydroxycinnamyl)serine methyl ester

Database identifiers

PubChem CID
54523948

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
78.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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