Cas no 16820-25-0 ((S)-2-AMINO-2-METHYL-4-PENTENOIC ACID)

(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID structure
16820-25-0 structure
Product Name:(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID
CAS No:16820-25-0
MF:C6H11NO2
MW:129.157041788101
CID:137169
PubChem ID:2724753
Update Time:2025-04-19

(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID Chemical and Physical Properties

Names and Identifiers

    • (S)-2-AMINO-2-METHYL-4-PENTENOIC ACID
    • 3-Butenoic acid,2-amino-2-methyl-, (2S)-
    • Α-ALLYL-L-ALA
    • (+)-(2S)-N-Acetyl-2-cyclohexylglycin
    • (+)-(S)-2-methyl-2-vinylglycine
    • (+)-2-Amino-2-methyl-but-3-ensaeure
    • (S)-2-acetamido-2-cyclohexylacetic acid
    • (S)-2-amino-2-methyl-3-butenoic acid
    • (S)-ACETYLAMINO-CYCLOHEXYL-ACETIC ACID
    • (S)-N-acetylcyclohexylglycine
    • acetyl-cyclohexylglycine
    • AG-H-16008
    • CTK5E6103
    • Cyclohexaneacetic acid,a-(acetylamino)-, (aS)-
    • Cyclohexaneaceticacid, a-(acetylamino)-, (S)-
    • SureCN6885724
    • (2S)-(9CI)
    • -Allyl-L-Ala
    • A-ALLYL-L-ALA
    • ALPHA-ALLYL-L-ALA
    • (S)-ALPHA-METHYL-ALLYLGLYCINE
    • (2S)-2-Amino-2-methyl-3-butenoic acid
    • 3-Butenoicacid,2-amino-2-methyl-,(2S)-(9CI)
    • AC-1020
    • 96886-55-4
    • (S)-(-)- alpha -Allylalanine
    • (S)-(-)-ALPHA-ALLYLALANINE
    • (S)-2-Amino-2-methylpent-4-enoic acid
    • (2S)-2-amino-2-methylpent-4-enoic acid
    • (S)-2-AMINO-2-METHYL-4-PENTENOICACID HPLC >97%
    • 16820-25-0
    • MFCD00145248
    • AS-47110
    • (S)-alpha-Allylalanine (98%, 98%ee)
    • (S)-(-)-2-AMINO-2-METHYL-4-PENTENOIC ACID
    • F12113
    • LT0125
    • AKOS006342338
    • ALPHA-METHYL-L-ALLYLGLYCINE
    • CS-0089888
    • SCHEMBL503383
    • A inverted exclamation mark-Allyl-L-Ala
    • (s)-alpha-allylalanine
    • A-ALLYL-D-ALA
    • (S)-2-Amino-2-methylpent-4-enoicacid
    • A851584
    • AB03939
    • (S)-2-amino-2-methyl-4-pentenoicacid
    • (S)-(-)-alpha-Allylalanine, >=98.0% (HPLC)
    • DTXSID20369222
    • Inchi： 1S/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3H,1,4,7H2,2H3,(H,8,9)/t6-/m0/s1
    • InChI Key： QMBTZYHBJFPEJB-LURJTMIESA-N
    • SMILES： OC([C@](C)(CC=C)N)=O

Computed Properties

  • Exact Mass: 115.06337
  • 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: 3
  • Complexity: 133
  • 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: -2.1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32

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