6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid

C27H34N4O6 — CID 166666589

About 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid

6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 166666589) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid
• PubChem CID: 166666589
• Molecular Formula: C27H34N4O6
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.25
• IUPAC Name: 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid
• SMILES: CN(CCC1(C(C)(C)C)CC2(CN(C(=O)O)C2)C1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C27H34N4O6/c1-25(2,3)27(12-26(13-27)14-30(15-26)24(36)37)10-11-29(4)17-7-5-6-16-20(17)23(35)31(22(16)34)18-8-9-19(32)28-21(18)33/h5-7,18H,8-15H2,1-4H3,(H,36,37)(H,28,32,33)
• InChIKey: KDEQFFJVRSXEDE-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 127.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
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 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid?

The IUPAC name of 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid (CID 166666589) is 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid.

What is the SMILES notation for 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid?

The canonical SMILES for 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid is CN(CCC1(C(C)(C)C)CC2(CN(C(=O)O)C2)C1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid?

The InChIKey is KDEQFFJVRSXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-25(2,3)27(12-26(13-27)14-30(15-26)24(36)37)10-11-29(4)17-7-5-6-16-20(17)23(35)31(22(16)34)18-8-9-19(32)28-21(18)33/h5-7,18H,8-15H2,1-4H3,(H,36,37)(H,28,32,33).

What are the key properties of 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid?

6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 510.59 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 166666589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).