(2R)-pyrrolidine-2-carboxylate | SBID = 1815 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C5H8NO2-
M / g/mol: 114.12252
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: (2R)-pyrrolidine-2-carboxylate
  • Preferred Abbreviation: (2R)-pyrrolidine-2-carboxylate
  • IUPAC Name:
  • CAS:
  • CID: -741
  • InChiKey: ONIBWKKTOPOVIA-UHFFFAOYSA-M
  • InChi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1
  • CanoSmiles: [O-]C(=O)[C@H]1CCCN1
  • IsoSmiles: O=C([O-])[C@@H]1NCCC1