Cas no 856417-63-5 (PENTANOIC ACID, 5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-ETHYL-)

PENTANOIC ACID, 5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-ETHYL- structure
856417-63-5 structure
Product Name:PENTANOIC ACID, 5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-ETHYL-
CAS No:856417-63-5
MF:C12H23NO4
MW:245.315324068069
CID:3483081
PubChem ID:86057772
Update Time:2025-04-21

PENTANOIC ACID, 5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-ETHYL- Chemical and Physical Properties

Names and Identifiers

    • PENTANOIC ACID, 5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-ETHYL-
    • 856417-63-5
    • 5-((tert-Butoxycarbonyl)amino)-3-ethylpentanoic acid
    • SCHEMBL18536019
    • Inchi: 1S/C12H23NO4/c1-5-9(8-10(14)15)6-7-13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15)
    • InChI Key: DNNRQVCYRPCTBV-UHFFFAOYSA-N
    • SMILES: O(C(NCCC(CC(=O)O)CC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 245.16270821Da
  • Monoisotopic Mass: 245.16270821Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 75.6?2

PENTANOIC ACID, 5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-ETHYL- Related Literature

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