2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate

C20H39N7O10 — CID 123609060

About 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate

2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate (PubChem CID 123609060) has the molecular formula C20H39N7O10 and a molecular weight of 537.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
• PubChem CID: 123609060
• Molecular Formula: C20H39N7O10
• Molecular Weight: 537.57 g/mol
• Exact Mass: 537.28
• IUPAC Name: 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate
• SMILES: CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOC(=O)NNN
• InChI: InChI=1S/C20H39N7O10/c1-20(2,3)37-18(31)25-14-17(30)24-13-16(29)23-12-15(28)22-4-5-33-6-7-34-8-9-35-10-11-36-19(32)26-27-21/h27H,4-14,21H2,1-3H3,(H,22,28)(H,23,29)(H,24,30)(H,25,31)(H,26,32)
• InChIKey: WMCHRFRFNWEDOZ-UHFFFAOYSA-N
• XLogP: -2.99
• TPSA: 229.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	537.57
LogP ≤ 5	-2.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?

The IUPAC name of 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate (CID 123609060) is 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate.

What is the SMILES notation for 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?

The canonical SMILES for 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOC(=O)NNN.

What is the InChIKey of 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?

The InChIKey is WMCHRFRFNWEDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N7O10/c1-20(2,3)37-18(31)25-14-17(30)24-13-16(29)23-12-15(28)22-4-5-33-6-7-34-8-9-35-10-11-36-19(32)26-27-21/h27H,4-14,21H2,1-3H3,(H,22,28)(H,23,29)(H,24,30)(H,25,31)(H,26,32).

What are the key properties of 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate?

2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate has a molecular weight of 537.57 g/mol, XLogP of -2.99, 19 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-hydrazinylcarbamate is sourced from PubChem (CID 123609060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).