Boc-D-alanine methyl ester | SBID = 94 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 64.6
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.8
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
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: 158.9
Sum Formula: C9H17NO4
M / g/mol: 203.238
Complexity: 219.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: Boc-D-alanine methyl ester
  • Preferred Abbreviation: Boc-D-alanine methyl ester
  • IUPAC Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • CAS: 91103-47-8
  • CID: 637612
  • InChiKey: GJDICGOCZGRDFM-ZCFIWIBFSA-N
  • InChi: InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1
  • CanoSmiles: CC(C(=O)OC)NC(=O)OC(C)(C)C
  • IsoSmiles: C[C@H](C(=O)OC)NC(=O)OC(C)(C)C