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Home > Encyclopedia > butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate

butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate

butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate structure

butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate 

structure
  • CAS No:

    39638-52-3

  • Formula:

    C13H19NO4

  • Chemical Name:

    butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate

  • Synonyms:

    levodopa butyl ester;L-DOPA n-Butyl Ester;39638-52-3;butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;Levodopa butyl ester;Butyl 3-hydroxytyrosinate;L-DOPA butyl ester;SCHEMBL8257343;CHEMBL1823473;DTXSID20960258;ZINC58124709;L-Tyrosine, 3-hydroxy-, butyl ester

butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate Basic Attributes

253.29 g/mol

253.13140809 g/mol

Characteristics

92.8 Ų

Drug Information

levodopa butyl ester

Computed Properties

Molecular Weight:253.29
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:253.13140809
Monoisotopic Mass:253.13140809
Topological Polar Surface Area:92.8
Heavy Atom Count:18
Complexity:259
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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