6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid

C23H29N3O6 — CID 175555281

IUPAC6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid
SMILESCC(C)(C)N(CCCCCC(=O)O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H29N3O6/c1-23(2,3)25(12-6-4-5-7-19(28)29)14-8-9-15-16(13-14)22(32)26(21(15)31)17-10-11-18(27)24-20(17)30/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,28,29)(H,24,27,30)
InChIKeyUIRUDGTVVZOUMM-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.34
Rot. Bonds8

About 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid

6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid (PubChem CID 175555281) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid
PubChem CID175555281
Molecular FormulaC23H29N3O6
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid
SMILESCC(C)(C)N(CCCCCC(=O)O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H29N3O6/c1-23(2,3)25(12-6-4-5-7-19(28)29)14-8-9-15-16(13-14)22(32)26(21(15)31)17-10-11-18(27)24-20(17)30/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,28,29)(H,24,27,30)
InChIKeyUIRUDGTVVZOUMM-UHFFFAOYSA-N
XLogP2.34
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid with MolForge

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Related Compounds

5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
2-(2,6-dioxopiperidin-3-yl)-5-(6-oxoheptoxy)isoindole-1,3-dione
CID 134489038
13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyltridecanoic acid
CID 152564631
10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
CID 151597791
2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione
CID 175658480
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
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
methyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoate
CID 163374317
5-[(3-acetylcyclobutyl)-methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170129715
2-(2,6-dioxopiperidin-3-yl)-5-[[6-[3-(N-methylanilino)azetidin-1-yl]-6-oxohexyl]amino]isoindole-1,3-dione
CID 166994273
5-[[(1R,2S)-2-(dimethylamino)cyclohexyl]-methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150341091

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid?
The IUPAC name of 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid (CID 175555281) is 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid.
What is the SMILES notation for 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid?
The canonical SMILES for 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid is CC(C)(C)N(CCCCCC(=O)O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid?
The InChIKey is UIRUDGTVVZOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6/c1-23(2,3)25(12-6-4-5-7-19(28)29)14-8-9-15-16(13-14)22(32)26(21(15)31)17-10-11-18(27)24-20(17)30/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,28,29)(H,24,27,30).
What are the key properties of 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid?
6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid has a molecular weight of 443.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid is sourced from PubChem (CID 175555281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).