tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid

About tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid

tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid (PubChem CID 174174411) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid.

Molecular Properties

Compound Name	tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid
PubChem CID	174174411
Molecular Formula	C23H28N4O6
Molecular Weight	456.50 g/mol
Exact Mass	456.20
IUPAC Name	tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid
SMILES	CC(C)(C)N(CCCN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C(=O)O
InChI	InChI=1S/C23H28N4O6/c1-23(2,3)26(22(32)33)8-4-7-25-11-13-9-15-16(10-14(13)12-25)21(31)27(20(15)30)17-5-6-18(28)24-19(17)29/h9-10,17H,4-8,11-12H2,1-3H3,(H,32,33)(H,24,28,29)
InChIKey	YNELRUXYIJBCMC-UHFFFAOYSA-N
XLogP	1.57
TPSA	127.33 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid?

The IUPAC name of tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid (CID 174174411) is tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid.

What is the SMILES notation for tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid?

The canonical SMILES for tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid is CC(C)(C)N(CCCN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C(=O)O.

What is the InChIKey of tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid?

The InChIKey is YNELRUXYIJBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-23(2,3)26(22(32)33)8-4-7-25-11-13-9-15-16(10-14(13)12-25)21(31)27(20(15)30)17-5-6-18(28)24-19(17)29/h9-10,17H,4-8,11-12H2,1-3H3,(H,32,33)(H,24,28,29).

What are the key properties of tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid?

tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid has a molecular weight of 456.50 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]propyl]carbamic acid is sourced from PubChem (CID 174174411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).