tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane

C28H38N4O5 — CID 178005412

About tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane

tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane (PubChem CID 178005412) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane.

Molecular Properties

• Compound Name: tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane
• PubChem CID: 178005412
• Molecular Formula: C28H38N4O5
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.28
• IUPAC Name: tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane
• SMILES: CC.CC(C)(C)OC(=O)N1CC(C2CN(c3cccc4c3C3(CC3)C(=O)N4C3CCC(=O)NC3=O)C2)C1
• InChI: InChI=1S/C26H32N4O5.C2H6/c1-25(2,3)35-24(34)29-13-16(14-29)15-11-28(12-15)17-5-4-6-18-21(17)26(9-10-26)23(33)30(18)19-7-8-20(31)27-22(19)32;1-2/h4-6,15-16,19H,7-14H2,1-3H3,(H,27,31,32);1-2H3
• InChIKey: VIUSMUJIXQGKTP-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane?

The IUPAC name of tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane (CID 178005412) is tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane.

What is the SMILES notation for tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane?

The canonical SMILES for tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC(C2CN(c3cccc4c3C3(CC3)C(=O)N4C3CCC(=O)NC3=O)C2)C1.

What is the InChIKey of tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane?

The InChIKey is VIUSMUJIXQGKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5.C2H6/c1-25(2,3)35-24(34)29-13-16(14-29)15-11-28(12-15)17-5-4-6-18-21(17)26(9-10-26)23(33)30(18)19-7-8-20(31)27-22(19)32;1-2/h4-6,15-16,19H,7-14H2,1-3H3,(H,27,31,32);1-2H3.

What are the key properties of tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane?

tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane has a molecular weight of 510.64 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane is sourced from PubChem (CID 178005412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).