3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C18H34N2O9 — CID 134287797

About 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 134287797) has the molecular formula C18H34N2O9 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 134287797
• Molecular Formula: C18H34N2O9
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.23
• IUPAC Name: 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: CC(C)(C)OC(=O)NCC(=O)NCCOCCOCCOCCOCCC(=O)O
• InChI: InChI=1S/C18H34N2O9/c1-18(2,3)29-17(24)20-14-15(21)19-5-7-26-9-11-28-13-12-27-10-8-25-6-4-16(22)23/h4-14H2,1-3H3,(H,19,21)(H,20,24)(H,22,23)
• InChIKey: RONZHAROJRNEDX-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 141.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 134287797) is 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CC(C)(C)OC(=O)NCC(=O)NCCOCCOCCOCCOCCC(=O)O.

What is the InChIKey of 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is RONZHAROJRNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O9/c1-18(2,3)29-17(24)20-14-15(21)19-5-7-26-9-11-28-13-12-27-10-8-25-6-4-16(22)23/h4-14H2,1-3H3,(H,19,21)(H,20,24)(H,22,23).

What are the key properties of 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 422.48 g/mol, XLogP of 0.17, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 134287797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).