N-(3,5-dichlorophenyl)alanine isobutyl ester

HCID 54461425
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Basic information

Standard SMILES
CC(C)COC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1
InChIKey
XBWORTAZXJAFCY-VIFPVBQESA-N
Molecular formula
C13H17Cl2NO2
Average molar mass
290.18 g/mol

Names & identifiers

Preferred name
N-(3,5-dichlorophenyl)alanine isobutyl ester
IUPAC
2-methylpropyl (2S)-2-(3,5-dichloroanilino)propanoate

Names & synonyms

SCHEMBL4424648XBWORTAZXJAFCY-VIFPVBQESA-NN-(3,5-dichlorophenyl)alanine isobutyl esterN-(3,5dichlorophenyl)alanine iso-butyl esterN-(3,5-dichlorophenyl)alanine Iso-butyl Ester

Database identifiers

PubChem CID
54461425

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
18

Related reactions

15 records
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Linked notes

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