tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate

C24H30N4O10 — CID 157020834

About tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate

tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate (PubChem CID 157020834) has the molecular formula C24H30N4O10 and a molecular weight of 534.52 g/mol. Its IUPAC name is tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate
• PubChem CID: 157020834
• Molecular Formula: C24H30N4O10
• Molecular Weight: 534.52 g/mol
• Exact Mass: 534.20
• IUPAC Name: tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate
• SMILES: CC(C)(C)OC(=O)CN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)C=CC1=O
• InChI: InChI=1S/C24H30N4O10/c1-23(2,3)37-21(35)13-27(19(33)11-25-15(29)7-8-16(25)30)28(14-22(36)38-24(4,5)6)20(34)12-26-17(31)9-10-18(26)32/h7-10H,11-14H2,1-6H3
• InChIKey: BXOJBXCZNDDTKW-UHFFFAOYSA-N
• XLogP: -0.91
• TPSA: 167.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.52
LogP ≤ 5	-0.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate?

The IUPAC name of tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate (CID 157020834) is tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate.

What is the SMILES notation for tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate?

The canonical SMILES for tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate is CC(C)(C)OC(=O)CN(C(=O)CN1C(=O)C=CC1=O)N(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)C=CC1=O.

What is the InChIKey of tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate?

The InChIKey is BXOJBXCZNDDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O10/c1-23(2,3)37-21(35)13-27(19(33)11-25-15(29)7-8-16(25)30)28(14-22(36)38-24(4,5)6)20(34)12-26-17(31)9-10-18(26)32/h7-10H,11-14H2,1-6H3.

What are the key properties of tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate?

tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate has a molecular weight of 534.52 g/mol, XLogP of -0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]amino]acetate is sourced from PubChem (CID 157020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).