(2S)-2-acetamido-4-methylpentanoate | SBID = 1806 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
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: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C8H14NO3-
M / g/mol: 172.2
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: (2S)-2-acetamido-4-methylpentanoate
  • Preferred Abbreviation: (2S)-2-acetamido-4-methylpentanoate
  • IUPAC Name:
  • CAS:
  • CID: -732
  • InChiKey: WXNXCEHXYPACJF-UHFFFAOYSA-M
  • InChi: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1
  • CanoSmiles: CC(C[C@@H](C(=O)[O-])NC(=O)C)C
  • IsoSmiles: [O-]C([C@@H](NC(C)=O)CC(C)C)=O