Cas no 37447-35-1 (Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester)

Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester structure
37447-35-1 structure
Product Name:Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester
CAS No:37447-35-1
MF:C13H15NO6
MW:281.261304140091
CID:319450
PubChem ID:292650
Update Time:2025-04-19

Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester
    • dimethyl 2-(phenylmethoxycarbonylamino)propanedioate
    • 2-benzyloxycarbonylaminomalonic acid dimethyl ester
    • AC1Q5YQK
    • AR-1I5809
    • Benzyloxycarbonylaminomalonsaeuredimethylester
    • CTK4H8183
    • dimethyl (benzyloxycarbonylamino)malonate
    • dimethyl benzyloxycarbonyl aminomalonate
    • dimethyl{[(benzyloxy)carbonyl]amino}propanedioate
    • N-benzyloxycarbonylaminomalonate
    • N-Benzyloxycarbonyl-aminomalonsaeure-dimethylester
    • NSC158560
    • SureCN6806275
    • UPCMLD00WJLM20
    • 37447-35-1
    • NSC-158560
    • DTXSID20303489
    • SCHEMBL6806275
    • dimethyl {[(benzyloxy)carbonyl]amino}propanedioate
    • UPCMLD00WJLM20:002
    • Inchi： 1S/C13H15NO6/c1-18-11(15)10(12(16)19-2)14-13(17)20-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,17)
    • InChI Key： OXYGSELSDZGDRC-UHFFFAOYSA-N
    • SMILES： O(C(NC(C(=O)OC)C(=O)OC)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 281.08995
  • Monoisotopic Mass: 281.08993720g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 335
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 90.9?2

Experimental Properties

  • PSA: 90.93
  • LogP: 1.01830

Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester Related Literature

37447-35-1 (Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-dimethyl ester) Related Products

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