Cas no 51868-61-2 (L-Cysteine,N-acetyl-S-(2-carboxyethyl)-)

L-Cysteine,N-acetyl-S-(2-carboxyethyl)- structure
51868-61-2 structure
Product Name:L-Cysteine,N-acetyl-S-(2-carboxyethyl)-
CAS No:51868-61-2
MF:C8H13NO5S
MW:235.257521390915
CID:371860
PubChem ID:108073
Update Time:2025-04-19

L-Cysteine,N-acetyl-S-(2-carboxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • L-Cysteine,N-acetyl-S-(2-carboxyethyl)-
    • N-Acetyl-S-(2-carboxyethyl)-L-cysteine Bis(dicyclohexylamine) Salt
    • (2R)-2-acetamido-3-(2-carboxyethylsulfanyl)propanoic acid
    • S-(2-carboxyethyl)-N-acetylcysteine
    • 3-(n-acetyl-l-cystein-s-yl)propanoic acid
    • N-Ac-Cec
    • L-Cysteine, N-acetyl-S-(2-carboxyethyl)-
    • ALANINE, N-ACETYL-3-(2-CARBOXYETHYLTHIO)-
    • RFS74C5561
    • AKOS030240678
    • S-(2-Carboxyethyl)-N-(1-hydroxyethylidene)cysteine
    • N-Acetyl-S-(2-carboxyethyl)cysteine
    • (R)-2-Acetamido-3-((2-carboxyethyl)thio)propanoic acid
    • (2R)-3-[(2-CARBOXYETHYL)SULFANYL]-2-ACETAMIDOPROPANOIC ACID
    • DTXSID60966198
    • Q27288098
    • N-ACETYL-S-(2-CARBOXYETHYL)-L-CYSTEINE
    • 2-Cema
    • 51868-61-2
    • SCHEMBL16097664
    • UNII-RFS74C5561
    • 2-Carboxyethylmercapturic acid
    • Inchi: 1S/C8H13NO5S/c1-5(10)9-6(8(13)14)4-15-3-2-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1
    • InChI Key: CLQPFBSYILTXKI-LURJTMIESA-N
    • SMILES: S(CCC(=O)O)C[C@@H](C(=O)O)NC(C)=O

Computed Properties

  • Exact Mass: 235.05149
  • Monoisotopic Mass: 235.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 255
  • 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: -0.7
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • Density: 1.382
  • Boiling Point: 576.4°Cat760mmHg
  • Flash Point: 302.4°C
  • Refractive Index: 1.545
  • PSA: 103.7

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