(2R)-2-aminobutanedioic acid | SBID = 2193 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 101.0
Ertl TPSA/Å2: 100.62
Hydrophilicity (PubChem XLogP): -2.8
Hydrophilicity (Cheng XLogP3): -1.54
Charge: 0.0
Number of H-Bond Donors: 3.0
Number of H-Bond Acceptors: 5.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 95.7
Sum Formula: C4H7NO4
M / g/mol: 133.1
Complexity: 133.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: (2R)-2-aminobutanedioic acid
  • Preferred Abbreviation: D-Aspartic acid
  • IUPAC Name: (2R)-2-aminobutanedioic acid
  • CAS:
  • CID: 83887
  • InChiKey: CKLJMWTZIZZHCS-UWTATZPHSA-N
  • InChi: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
  • CanoSmiles: C(C(C(=O)O)N)C(=O)O
  • IsoSmiles: C([C@H](C(=O)O)N)C(=O)O