dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C49H80N3O6- — CID 131729182

About dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 131729182) has the molecular formula C49H80N3O6- and a molecular weight of 807.19 g/mol. Its IUPAC name is dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

• Compound Name: dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• PubChem CID: 131729182
• Molecular Formula: C49H80N3O6-
• Molecular Weight: 807.19 g/mol
• Exact Mass: 806.61
• IUPAC Name: dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• SMILES: CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCCCCCCCCCCCCC[N-]CCCCCCCCCCCC
• InChI: InChI=1S/C26H54N.C23H26N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-27-25-23-21-19-17-14-12-10-8-6-4-2;1-23(2,3)31-22(29)25-19(20(26)27)12-24-21(28)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h3-26H2,1-2H3;4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/q-1;/t;19-/m.0/s1
• InChIKey: OWLAAPZOTAWDEO-XUUOJJPQSA-N
• XLogP: 13.49
• TPSA: 128.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 30
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.19
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The IUPAC name of dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 131729182) is dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is the SMILES notation for dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The canonical SMILES for dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCCCCCCCCCCCCC[N-]CCCCCCCCCCCC.

What is the InChIKey of dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The InChIKey is OWLAAPZOTAWDEO-XUUOJJPQSA-N. The full InChI is InChI=1S/C26H54N.C23H26N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-27-25-23-21-19-17-14-12-10-8-6-4-2;1-23(2,3)31-22(29)25-19(20(26)27)12-24-21(28)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h3-26H2,1-2H3;4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/q-1;/t;19-/m.0/s1.

What are the key properties of dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 807.19 g/mol, XLogP of 13.49, 30 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for dodecyl(tetradecyl)azanide;(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 131729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).