tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione

C35H47N5O13 — CID 163576664

About tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione

tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione (PubChem CID 163576664) has the molecular formula C35H47N5O13 and a molecular weight of 745.78 g/mol. Its IUPAC name is tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione
• PubChem CID: 163576664
• Molecular Formula: C35H47N5O13
• Molecular Weight: 745.78 g/mol
• Exact Mass: 745.32
• IUPAC Name: tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione
• SMILES: CC(C)(C)OC(=O)CCN(C(=O)CCN1C(=O)C=CC1=O)N(CCC(=O)OC(C)(C)C)C(=O)CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCO
• InChI: InChI=1S/C28H38N4O10.C7H9NO3/c1-27(2,3)41-25(39)13-17-31(23(37)11-15-29-19(33)7-8-20(29)34)32(18-14-26(40)42-28(4,5)6)24(38)12-16-30-21(35)9-10-22(30)36;9-5-1-4-8-6(10)2-3-7(8)11/h7-10H,11-18H2,1-6H3;2-3,9H,1,4-5H2
• InChIKey: GEBYKPVXGXFRQB-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 225.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.78
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione?

The IUPAC name of tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione (CID 163576664) is tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione.

What is the SMILES notation for tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione?

The canonical SMILES for tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione is CC(C)(C)OC(=O)CCN(C(=O)CCN1C(=O)C=CC1=O)N(CCC(=O)OC(C)(C)C)C(=O)CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCO.

What is the InChIKey of tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione?

The InChIKey is GEBYKPVXGXFRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O10.C7H9NO3/c1-27(2,3)41-25(39)13-17-31(23(37)11-15-29-19(33)7-8-20(29)34)32(18-14-26(40)42-28(4,5)6)24(38)12-16-30-21(35)9-10-22(30)36;9-5-1-4-8-6(10)2-3-7(8)11/h7-10H,11-18H2,1-6H3;2-3,9H,1,4-5H2.

What are the key properties of tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione?

tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione has a molecular weight of 745.78 g/mol, XLogP of -0.05, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]amino]propanoate;1-(3-hydroxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 163576664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).