Cas no 261896-39-3 ((3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid)

(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid structure
261896-39-3 structure
Product Name:(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid
CAS No:261896-39-3
MF:C9H17NO2
MW:171.23678278923
CID:67318
PubChem ID:10130167
Update Time:2025-04-18

(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid
    • 4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
    • (3S,4S)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID
    • A5197
    • 261896-39-3
    • Rel-(3R,4R)-4-isobutylpyrrolidine-3-carboxylic acid
    • SCHEMBL6674921
    • (3R,4R)-4-(2-METHYLPROPYL)PYRROLIDINE-3-CARBOXYLIC ACID
    • 3-Pyrrolidinecarboxylic acid, 4-(2-methylpropyl)-, (3R,4R)-
    • 261896-26-8
    • Inchi: 1S/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
    • InChI Key: WPLPJEWZNOILAV-YUMQZZPRSA-N
    • SMILES: OC([C@H]1CNC[C@@H]1CC(C)C)=O

Computed Properties

  • Exact Mass: 171.12600
  • Monoisotopic Mass: 171.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • PSA: 49.33000
  • LogP: 1.28150

(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Ambeed
A217337-1g
(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid
261896-39-3 97%
1g
$693.0 2024-07-28
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