Cas no 33012-76-9 (1-Pyrrolidineaceticacid, 2-carboxy-, (2S)-)

1-Pyrrolidineaceticacid, 2-carboxy-, (2S)- structure
33012-76-9 structure
Product Name:1-Pyrrolidineaceticacid, 2-carboxy-, (2S)-
CAS No:33012-76-9
MF:C7H11NO4
MW:173.166542291641
CID:293977
PubChem ID:15544535
Update Time:2025-04-19

1-Pyrrolidineaceticacid, 2-carboxy-, (2S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Pyrrolidineaceticacid, 2-carboxy-, (2S)-
    • 1-(Carboxymethyl)-L-proline
    • 1-Pyrrolidineacetic acid, 2-carboxy-, L- (8CI)
    • 1-Pyrrolidineaceticacid, 2-carboxy-, (S)-
    • (S)-1-(Carboxymethyl)pyrrolidine-2-carboxylic acid
    • SCHEMBL472181
    • 33012-76-9
    • carboxymethylproline
    • (Carboxymethyl)-L-proline
    • DTXSID70573918
    • (2S)-1-(CARBOXYMETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
    • Inchi: 1S/C7H11NO4/c9-6(10)4-8-3-1-2-5(8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1
    • InChI Key: ZCIXWIPMALYWJT-YFKPBYRVSA-N
    • SMILES: OC([C@@H]1CCCN1CC(=O)O)=O

Computed Properties

  • Exact Mass: 173.06883
  • Monoisotopic Mass: 173.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 204
  • 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: -2.3
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.84
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