tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate

C30H40N4O10 — CID 166452034

About tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate

tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate (PubChem CID 166452034) has the molecular formula C30H40N4O10 and a molecular weight of 616.67 g/mol. Its IUPAC name is tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate.

Molecular Properties

• Compound Name: tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate
• PubChem CID: 166452034
• Molecular Formula: C30H40N4O10
• Molecular Weight: 616.67 g/mol
• Exact Mass: 616.27
• IUPAC Name: tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate
• SMILES: CC(C)(C)OC(=O)NCCCCCNC(=O)CN1C(=O)CCC(N2C(=O)c3cccc(OC(=O)OC(C)(C)C)c3C2=O)C1=O
• InChI: InChI=1S/C30H40N4O10/c1-29(2,3)43-27(40)32-16-9-7-8-15-31-21(35)17-33-22(36)14-13-19(25(33)38)34-24(37)18-11-10-12-20(23(18)26(34)39)42-28(41)44-30(4,5)6/h10-12,19H,7-9,13-17H2,1-6H3,(H,31,35)(H,32,40)
• InChIKey: WUDPPABYVQVZRQ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 177.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.67
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate?

The IUPAC name of tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate (CID 166452034) is tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate.

What is the SMILES notation for tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate?

The canonical SMILES for tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate is CC(C)(C)OC(=O)NCCCCCNC(=O)CN1C(=O)CCC(N2C(=O)c3cccc(OC(=O)OC(C)(C)C)c3C2=O)C1=O.

What is the InChIKey of tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate?

The InChIKey is WUDPPABYVQVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O10/c1-29(2,3)43-27(40)32-16-9-7-8-15-31-21(35)17-33-22(36)14-13-19(25(33)38)34-24(37)18-11-10-12-20(23(18)26(34)39)42-28(41)44-30(4,5)6/h10-12,19H,7-9,13-17H2,1-6H3,(H,31,35)(H,32,40).

What are the key properties of tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate?

tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate has a molecular weight of 616.67 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate is sourced from PubChem (CID 166452034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).