Cas no 712270-40-1 (1-acetylpyrrolidine-3-carboxylic acid)

1-acetylpyrrolidine-3-carboxylic acid structure
712270-40-1 structure
Product Name:1-acetylpyrrolidine-3-carboxylic acid
CAS No:712270-40-1
MF:C7H11NO3
MW:157.167142152786
MDL:MFCD17272529
CID:858873
PubChem ID:22117928
Update Time:2025-04-19

1-acetylpyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidinecarboxylic acid, 1-acetyl- (9CI)
    • 1-Acetyl-3-pyrrolidinecarboxylic acid
    • 1-Acetyl-pyrrolidine-3-carboxylic acid
    • 1-acetylpyrrolidine-3-carboxylic acid
    • F8889-5000
    • 1-acetylpyrrolidine-3-carboxylicacid
    • CCG-211568
    • Z1078654182
    • AKOS012305571
    • C78417
    • EN300-100180
    • AB91380
    • 712270-40-1
    • SCHEMBL3282152
    • MDL： MFCD17272529
    • Inchi： 1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
    • InChI Key： FEQQMBBBBFVNMN-UHFFFAOYSA-N
    • SMILES： OC(C1CN(C(C)=O)CC1)=O

Computed Properties

  • Exact Mass: 157.07393
  • Monoisotopic Mass: 157.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • PSA: 57.61

1-acetylpyrrolidine-3-carboxylic acid Pricemore >>

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