tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate

C29H59N3O11 — CID 174249780

About tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate

tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate (PubChem CID 174249780) has the molecular formula C29H59N3O11 and a molecular weight of 625.80 g/mol. Its IUPAC name is tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate.

Molecular Properties

• Compound Name: tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate
• PubChem CID: 174249780
• Molecular Formula: C29H59N3O11
• Molecular Weight: 625.80 g/mol
• Exact Mass: 625.41
• IUPAC Name: tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate
• SMILES: CC(C)(C)OC(=O)C(CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN
• InChI: InChI=1S/C29H59N3O11/c1-29(2,3)43-28(34)26(6-4-5-8-30)32-27(33)7-10-35-12-14-37-16-18-39-20-22-41-24-25-42-23-21-40-19-17-38-15-13-36-11-9-31/h26H,4-25,30-31H2,1-3H3,(H,32,33)
• InChIKey: WXMZRHAEMOJBLZ-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 181.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 32
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.80
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate?

The IUPAC name of tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate (CID 174249780) is tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate.

What is the SMILES notation for tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate?

The canonical SMILES for tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate is CC(C)(C)OC(=O)C(CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN.

What is the InChIKey of tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate?

The InChIKey is WXMZRHAEMOJBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59N3O11/c1-29(2,3)43-28(34)26(6-4-5-8-30)32-27(33)7-10-35-12-14-37-16-18-39-20-22-41-24-25-42-23-21-40-19-17-38-15-13-36-11-9-31/h26H,4-25,30-31H2,1-3H3,(H,32,33).

What are the key properties of tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate?

tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate has a molecular weight of 625.80 g/mol, XLogP of 0.42, 32 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-amino-2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate is sourced from PubChem (CID 174249780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).