N-Boc-D-Alanine | SBID = 92 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 75.6
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.9
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 145.3
Sum Formula: C8H15NO4
M / g/mol: 189.211
Complexity: 207.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: N-Boc-D-Alanine
  • Preferred Abbreviation: N-Boc-D-Ala
  • IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  • CAS: 7764-95-6
  • CID: 637606
  • InChiKey: QVHJQCGUWFKTSE-RXMQYKEDSA-N
  • InChi: InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
  • CanoSmiles: CC(C(=O)O)NC(=O)OC(C)(C)C
  • IsoSmiles: C[C@H](C(=O)O)NC(=O)OC(C)(C)C