Cas no 127310-57-0 (2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-)

2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- structure
127310-57-0 structure
Product Name:2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-
CAS No:127310-57-0
MF:C5H7NO4
MW:145.113381624222
CID:168886
PubChem ID:124432
Update Time:2025-04-19

2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-
    • azetidine-2,4-dicarboxylic acid
    • (2R,4R)-azetidine-2,4-dicarboxylic acid
    • 2,4-Azetidinedicarboxylic acid, trans-(+-)-
    • AD-2,4-DC
    • trans-(+-)-2,4-Azetidinedicarboxylic acid
    • AKOS006237610
    • Lopac-A-243
    • (-)-trans-azetidine-2,4-dicarboxylic acid
    • J-009847
    • tADA
    • (2R,4R)-(+)-AZETIDINE-2,4-DICARBOXYLIC ACID
    • CHEMBL43131
    • JMVIGOFRIJJUAW-PWNYCUMCSA-N
    • 121050-03-1
    • t-ada
    • Lopac-A-244
    • 161596-63-0
    • 127310-57-0
    • SCHEMBL179769
    • NCGC00015022-02
    • trans-2,4-azetidinedicarboxylic acid
    • trans-Azetidine-2,4-dicarboxylic acid, solid
    • NCGC00015022-01
    • BDBM50079270
    • TRANS-AZETIDINE-2,4-DICARBOXYLICACID
    • DTXSID60925846
    • Inchi: 1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3-/m1/s1
    • InChI Key: JMVIGOFRIJJUAW-PWNYCUMCSA-N
    • SMILES: OC([C@H]1C[C@H](C(=O)O)N1)=O

Computed Properties

  • Exact Mass: 145.03751
  • Monoisotopic Mass: 145.03750770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.1
  • Topological Polar Surface Area: 86.6?2

Experimental Properties

  • PSA: 86.63

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