Cas no 115228-55-2 (3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI))

3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI) structure
115228-55-2 structure
Product Name:3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI)
CAS No:115228-55-2
MF:C6H9NO2
MW:127.141161680222
CID:130694
PubChem ID:14132137
Update Time:2025-04-19

3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI)
    • 3-Butynoicacid,2-amino-2-methyl-,methylester,(R)-(9CI)
    • (r)-alpha-ethynylalanine methyl ester
    • methyl (2R)-2-amino-2-methylbut-3-ynoate
    • AKOS006365395
    • 115228-55-2
    • Inchi: 1S/C6H9NO2/c1-4-6(2,7)5(8)9-3/h1H,7H2,2-3H3/t6-/m1/s1
    • InChI Key: FTZONTNRTSTHNY-ZCFIWIBFSA-N
    • SMILES: O(C)C([C@](C#C)(C)N)=O

Computed Properties

  • Exact Mass: 127.06337
  • Monoisotopic Mass: 127.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 167
  • 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: -0.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32
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