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Home > Encyclopedia > methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate

methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate

methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate structure

methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate 

structure
  • CAS No:

    956045-68-4

  • Formula:

    C16H22N2O5

  • Chemical Name:

    methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate

  • Synonyms:

    ZINC2103332;STL532817;AKOS030499306;MCULE-5028781475;methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucinate;956045-68-4

methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate Basic Attributes

322.36 g/mol

322.15287181 g/mol

Characteristics

85.9 Ų

Computed Properties

Molecular Weight:322.36
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:322.15287181
Monoisotopic Mass:322.15287181
Topological Polar Surface Area:85.9
Heavy Atom Count:23
Complexity:415
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate

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