Cas no 116498-02-3 (Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI))

Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI) structure
116498-02-3 structure
Product Name:Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI)
CAS No:116498-02-3
MF:C6H11NO2
MW:129.157041788101
CID:131232
PubChem ID:13626224
Update Time:2025-04-19

Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI)
    • Cyclopropanecarboxylic acid, 1-amino-2,3-dimethyl-, (1alpha,2beta,3beta)- (9CI)
    • 116498-02-3
    • (2R,3S)-1-amino-2,3-dimethylcyclopropane-1-carboxylic acid
    • (1R,2R,3S)-1-amino-2,3-dimethylcyclopropanecarboxylic acid
    • AKOS006350571
    • Cyclopropanecarboxylic acid, 1-amino-2,3-dimethyl-, (1alpha,2alpha,3alpha)- (9CI)
    • 116498-01-2
    • AKOS006350170
    • Inchi: 1S/C6H11NO2/c1-3-4(2)6(3,7)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4+,6?
    • InChI Key: OWYKWRBYBBHPFS-WBMBKJJNSA-N
    • SMILES: OC(C1([C@@H](C)[C@H]1C)N)=O

Computed Properties

  • Exact Mass: 129.07903
  • Monoisotopic Mass: 129.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.2
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32
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