(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate

C23H24N4O8 — CID 175547456

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate
SMILESO=C1CCC(N2C(=O)c3cccc(NCCCCCC(=O)ON4C(=O)CCC4=O)c3C2=O)C(=O)N1
InChIInChI=1S/C23H24N4O8/c28-16-9-8-15(21(32)25-16)26-22(33)13-5-4-6-14(20(13)23(26)34)24-12-3-1-2-7-19(31)35-27-17(29)10-11-18(27)30/h4-6,15,24H,1-3,7-12H2,(H,25,28,32)
InChIKeyUFFNQAVHXLLPHL-UHFFFAOYSA-N
MW484.47 g/mol
LogP0.67
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate (PubChem CID 175547456) has the molecular formula C23H24N4O8 and a molecular weight of 484.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate
PubChem CID175547456
Molecular FormulaC23H24N4O8
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate
SMILESO=C1CCC(N2C(=O)c3cccc(NCCCCCC(=O)ON4C(=O)CCC4=O)c3C2=O)C(=O)N1
InChIInChI=1S/C23H24N4O8/c28-16-9-8-15(21(32)25-16)26-22(33)13-5-4-6-14(20(13)23(26)34)24-12-3-1-2-7-19(31)35-27-17(29)10-11-18(27)30/h4-6,15,24H,1-3,7-12H2,(H,25,28,32)
InChIKeyUFFNQAVHXLLPHL-UHFFFAOYSA-N
XLogP0.67
TPSA159.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl carbamate
CID 175555620
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
(5-hydroxy-4-oxopyran-2-yl)methyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate
CID 166630336
2-(2,6-dioxopiperidin-3-yl)-4-[[8-[(3S)-3-methylmorpholin-4-yl]-8-oxooctyl]amino]isoindole-1,3-dione
CID 166426985
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate (CID 175547456) is (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate is O=C1CCC(N2C(=O)c3cccc(NCCCCCC(=O)ON4C(=O)CCC4=O)c3C2=O)C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate?
The InChIKey is UFFNQAVHXLLPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O8/c28-16-9-8-15(21(32)25-16)26-22(33)13-5-4-6-14(20(13)23(26)34)24-12-3-1-2-7-19(31)35-27-17(29)10-11-18(27)30/h4-6,15,24H,1-3,7-12H2,(H,25,28,32).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate has a molecular weight of 484.47 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate is sourced from PubChem (CID 175547456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).