Cas no 774239-80-4 (Tert-butyl 3-iodopyrrolidine-1-carboxylate)

Tert-butyl 3-iodopyrrolidine-1-carboxylate structure
774239-80-4 structure
Product Name:Tert-butyl 3-iodopyrrolidine-1-carboxylate
CAS No:774239-80-4
MF:C9H16INO2
MW:297.133315086365
CID:839686
Update Time:2023-08-03

Tert-butyl 3-iodopyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Octreotide Acetate (non-cyclic) System Suitability Marker
    • tert-butyl 3-iodopyrrolidine-1-carboxylate
    • 1-BOC-3-IODOPYRROLIDINE
    • 1-(tert-Butoxycarbonyl)-3-iodopyrrolidine
    • 3-Iodo-pyrrolidine-1-carboxylic acid tert-butyl ester
    • 1-PYRROLIDINECARBOXYLIC ACID, 3-IODO-, 1,1-DIMETHYLETHYL ESTER
    • C9H16INO2
    • (R)-1BOC-3-Iodo-pyrrolidine
    • 1-BOC-3-IODO-PYRROLIDINE
    • HT932
    • PB15047
    • SY029315
    • AB0049442
    • AM20100768
    • Z2288
    • 3-Iodopyrrolidine-
    • Tert-butyl 3-iodopyrrolidine-1-carboxylate
    • Inchi: 1S/C9H16INO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3
    • InChI Key: CFTPTQLIAIOWLK-UHFFFAOYSA-N
    • SMILES: IC1CN(C(=O)OC(C)(C)C)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 200
  • XLogP3: 2.2
  • Topological Polar Surface Area: 29.5
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