Cas no 133153-76-1 (Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl)

Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl structure
133153-76-1 structure
Product Name:Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl
CAS No:133153-76-1
MF:C9H17NO5
MW:219.234983205795
MDL:MFCD30075813
CID:899455
PubChem ID:18652472
Update Time:2024-11-02

Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl
    • Boc-Ise-OMe
    • CS-0105321
    • AC8942
    • DQTVOWNRRLNDEY-LURJTMIESA-N
    • methyl (2S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxypropanoate
    • N-BOC-(S)-isoserinemethylester
    • EN300-7045991
    • Methyl (2S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxypropanoate
    • Methyl (S)-3-(Boc-amino)-2-hydroxypropanoate
    • SCHEMBL7403514
    • N-BOC-(S)-isoserine methyl ester
    • DTXSID001152371
    • 133153-76-1
    • methyl (2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
    • (S)-methyl 3-((tert-butoxycarbonyl)amino)-2-hydroxypropanoate
    • Methyl (S)-3-((tert-butoxycarbonyl)amino)-2-hydroxypropanoate
    • MDL: MFCD30075813
    • Inchi: 1S/C9H17NO5/c1-9(2,3)15-8(13)10-5-6(11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
    • InChI Key: DQTVOWNRRLNDEY-LURJTMIESA-N
    • SMILES: O(C(NC[C@@H](C(=O)OC)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 219.11100
  • Monoisotopic Mass: 219.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 84.9A^2
  • XLogP3: 0.2

Experimental Properties

  • PSA: 84.86000
  • LogP: 0.43590

Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl Pricemore >>

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