Cas no 1522-00-5 (3-(diethylcarbamoyl)propanoic acid)

3-(Diethylcarbamoyl)propanoic acid is a carbamate derivative with a propanoic acid functional group, offering versatile reactivity in organic synthesis. Its structure combines a diethylcarbamoyl moiety with a carboxylic acid, making it useful as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The compound’s dual functionality allows for selective modifications, enabling applications in amide and ester formation. Its stability under standard conditions facilitates handling and storage. Additionally, the presence of the diethylcarbamoyl group enhances solubility in organic solvents, improving reaction efficiency. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules due to its balanced reactivity and structural flexibility.
3-(diethylcarbamoyl)propanoic acid structure
1522-00-5 structure
Product Name:3-(diethylcarbamoyl)propanoic acid
CAS No:1522-00-5
MF:C8H15NO3
MW:173.209602594376
CID:142891
PubChem ID:15205
Update Time:2025-06-09

3-(diethylcarbamoyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-(diethylamino)-4-oxo-
    • 3-(diethylcarbamoyl)propanoic acid
    • 4-(diethylamino)-4-oxobutanoic acid
    • AI3-06303
    • BRN 1772287
    • Butanoic acid, 4-(diethylamino)-4-oxo- (9CI)
    • Mg 164
    • Monodietilamide dell'acido succinico
    • Monodietilamide dell'acido succinico [Italian]
    • N,N-Diethylsuccinamic acid
    • N,N-Diethylsuccinic acid monoamide
    • NSC 526
    • Succinamic acid, N,N-diethyl-
    • Mg-164
    • 3-[(Diethylamino)carbonyl]propionic acid
    • NSC-526
    • Z90312843
    • XILORGWKMLOGKF-UHFFFAOYSA-N
    • SCHEMBL2759968
    • AKOS000129020
    • 4-(Diethylamino)-4-oxobutanoicacid
    • BB 0218394
    • LS-12611
    • NSC526
    • CS-0230463
    • 4-04-00-00361 (Beilstein Handbook Reference)
    • 3-(N,N-diethylcarbamoyl)propionic acid
    • 1522-00-5
    • BAA52200
    • DTXSID60164970
    • 3-(diethylcarbamoyl)-propionic acid
    • MFCD00009612
    • EN300-104081
    • F0331-0220
    • Butanoic acid, 4-(diethylamino)-4-oxo-
    • ALBB-033314
    • STK052520
    • G44413
    • Inchi: 1S/C8H15NO3/c1-3-9(4-2)7(10)5-6-8(11)12/h3-6H2,1-2H3,(H,11,12)
    • InChI Key: XILORGWKMLOGKF-UHFFFAOYSA-N
    • SMILES: O=C(CCC(=O)O)N(CC)CC

Computed Properties

  • Exact Mass: 173.10525
  • Monoisotopic Mass: 173.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 164
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • PSA: 57.61

3-(diethylcarbamoyl)propanoic acid Pricemore >>

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