tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate

C26H34N4O8 — CID 150508566

About tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate (PubChem CID 150508566) has the molecular formula C26H34N4O8 and a molecular weight of 530.58 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate
• PubChem CID: 150508566
• Molecular Formula: C26H34N4O8
• Molecular Weight: 530.58 g/mol
• Exact Mass: 530.24
• IUPAC Name: tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCO[C@@H](COCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C26H34N4O8/c1-26(2,3)38-25(35)29-11-13-37-16(14-29)15-36-12-5-10-27-18-7-4-6-17-21(18)24(34)30(23(17)33)19-8-9-20(31)28-22(19)32/h4,6-7,16,19,27H,5,8-15H2,1-3H3,(H,28,31,32)/t16-,19?/m1/s1
• InChIKey: HZIQSZMLXLLWOZ-VTBWFHPJSA-N
• XLogP: 1.54
• TPSA: 143.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.58
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate?

The IUPAC name of tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate (CID 150508566) is tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate.

What is the SMILES notation for tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate?

The canonical SMILES for tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](COCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate?

The InChIKey is HZIQSZMLXLLWOZ-VTBWFHPJSA-N. The full InChI is InChI=1S/C26H34N4O8/c1-26(2,3)38-25(35)29-11-13-37-16(14-29)15-36-12-5-10-27-18-7-4-6-17-21(18)24(34)30(23(17)33)19-8-9-20(31)28-22(19)32/h4,6-7,16,19,27H,5,8-15H2,1-3H3,(H,28,31,32)/t16-,19?/m1/s1.

What are the key properties of tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate?

tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate has a molecular weight of 530.58 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 150508566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).