Cas no 149751-70-2 (Butanoic acid,2-[(aminoacetyl)amino]-, (2R)- (9CI))

Butanoic acid,2-[(aminoacetyl)amino]-, (2R)- (9CI) structure
149751-70-2 structure
Product Name:Butanoic acid,2-[(aminoacetyl)amino]-, (2R)- (9CI)
CAS No:149751-70-2
MF:C6H12N2O3
MW:160.171081542969
CID:100096
PubChem ID:6992410
Update Time:2025-04-18

Butanoic acid,2-[(aminoacetyl)amino]-, (2R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-[(aminoacetyl)amino]-, (2R)- (9CI)
    • 149751-70-2
    • (2R)-2-[(2-azaniumylacetyl)amino]butanoate
    • Butanoic acid, 2-[(aminoacetyl)amino]-, (2R)- (9CI)
    • Inchi: 1S/C6H12N2O3/c1-2-4(6(10)11)8-5(9)3-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
    • InChI Key: XHUWGEILXFVFMR-SCSAIBSYSA-N
    • SMILES: O=C(C[NH3+])N[C@@H](C(=O)[O-])CC

Computed Properties

  • Exact Mass: 160.08486
  • Monoisotopic Mass: 160.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: 92.4A^2
  • XLogP3: -2.5

Experimental Properties

  • PSA: 92.42

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