Cas no 114819-07-7 (Heptanoic acid,2-amino-2-methyl-, (2R)-)

Heptanoic acid,2-amino-2-methyl-, (2R)- structure
114819-07-7 structure
Product Name:Heptanoic acid,2-amino-2-methyl-, (2R)-
CAS No:114819-07-7
MF:C8H17NO2
MW:159.2260825634
CID:130489
PubChem ID:13956154
Update Time:2025-04-19

Heptanoic acid,2-amino-2-methyl-, (2R)- Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid,2-amino-2-methyl-, (2R)-
    • Heptanoic acid, 2-amino-2-methyl-, (2R)- (9CI)
    • SCHEMBL22518917
    • 114819-07-7
    • (2R)-2-amino-2-methylheptanoic acid
    • Inchi： 1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
    • InChI Key： HENXVCQQPFPENU-MRVPVSSYSA-N
    • SMILES： OC([C@@](C)(CCCCC)N)=O

Computed Properties

  • Exact Mass: 159.12601
  • Monoisotopic Mass: 159.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 136
  • 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
  • XLogP3: -0.8
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32

Heptanoic acid,2-amino-2-methyl-, (2R)- Related Literature

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