2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid

C17H33NO9 — CID 166714881

About 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 166714881) has the molecular formula C17H33NO9 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
• PubChem CID: 166714881
• Molecular Formula: C17H33NO9
• Molecular Weight: 395.45 g/mol
• Exact Mass: 395.22
• IUPAC Name: 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
• SMILES: CC(C)(C)OC(=O)NCCC(O)COCCOCCOCCOCC(=O)O
• InChI: InChI=1S/C17H33NO9/c1-17(2,3)27-16(22)18-5-4-14(19)12-25-10-8-23-6-7-24-9-11-26-13-15(20)21/h14,19H,4-13H2,1-3H3,(H,18,22)(H,20,21)
• InChIKey: PJPPLYVFHGKSKT-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 132.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.45
LogP ≤ 5	0.41
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 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 166714881) is 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NCCC(O)COCCOCCOCCOCC(=O)O.

What is the InChIKey of 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The InChIKey is PJPPLYVFHGKSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO9/c1-17(2,3)27-16(22)18-5-4-14(19)12-25-10-8-23-6-7-24-9-11-26-13-15(20)21/h14,19H,4-13H2,1-3H3,(H,18,22)(H,20,21).

What are the key properties of 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid?

2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 395.45 g/mol, XLogP of 0.41, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 166714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).