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

C15H29NO8 — CID 11660330

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

2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 11660330) has the molecular formula C15H29NO8 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
• PubChem CID: 11660330
• Molecular Formula: C15H29NO8
• Molecular Weight: 351.40 g/mol
• Exact Mass: 351.19
• IUPAC Name: 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(=O)O
• InChI: InChI=1S/C15H29NO8/c1-15(2,3)24-14(19)16-4-5-20-6-7-21-8-9-22-10-11-23-12-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)
• InChIKey: SHMYENBXRNPSOG-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 112.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.40
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 11660330) is 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

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

The canonical SMILES for 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(=O)O.

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

The InChIKey is SHMYENBXRNPSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO8/c1-15(2,3)24-14(19)16-4-5-20-6-7-21-8-9-22-10-11-23-12-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18).

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

2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 351.40 g/mol, XLogP of 0.66, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 11660330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).