Cas no 130999-94-9 (D-Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)-)

D-Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)- structure
130999-94-9 structure
Product Name:D-Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)-
CAS No:130999-94-9
MF:C7H13NO3S2
MW:223.313019514084
CID:102451
PubChem ID:636373
Update Time:2025-04-18

D-Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)- Chemical and Physical Properties

Names and Identifiers

    • D-Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)-
    • N-(2-Mercapto-2-methylpropionyl)-D-cysteine
    • D-Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)-
    • SCHEMBL930021
    • NCGC00183271-01
    • (2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
    • 130999-94-9
    • Inchi: 1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m1/s1
    • InChI Key: VUAFHZCUKUDDBC-SCSAIBSYSA-N
    • SMILES: SC(C)(C)C(N[C@@H](C(=O)O)CS)=O

Computed Properties

  • Exact Mass: 223.03379
  • Monoisotopic Mass: 223.03368562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 218
  • 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: 0.4
  • Topological Polar Surface Area: 68.4?2

Experimental Properties

  • PSA: 66.4
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