2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid

C17H16N2O9 — CID 175921320

IUPAC2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid
SMILESO=C(O)C[C@H](O)C(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O4.C4H6O5/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;5-2(4(8)9)1-3(6)7/h1-4,9H,5-6H2,(H,14,16,17);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyKPNSLHZFLCTRAZ-WNQIDUERSA-N
MW392.32 g/mol
LogP-1.01
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid

2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid (PubChem CID 175921320) has the molecular formula C17H16N2O9 and a molecular weight of 392.32 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid
PubChem CID175921320
Molecular FormulaC17H16N2O9
Molecular Weight392.32 g/mol
Exact Mass392.09
IUPAC Name2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid
SMILESO=C(O)C[C@H](O)C(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O4.C4H6O5/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;5-2(4(8)9)1-3(6)7/h1-4,9H,5-6H2,(H,14,16,17);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyKPNSLHZFLCTRAZ-WNQIDUERSA-N
XLogP-1.01
TPSA178.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489
(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
2-[2-(2-aminoethoxy)ethoxy]ethanamine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 145382151
2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
CID 164762929
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid
CID 175284105
(4S)-5-amino-4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 129116520
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
CID 171158371

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid (CID 175921320) is 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid is O=C(O)C[C@H](O)C(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid?
The InChIKey is KPNSLHZFLCTRAZ-WNQIDUERSA-N. The full InChI is InChI=1S/C13H10N2O4.C4H6O5/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;5-2(4(8)9)1-3(6)7/h1-4,9H,5-6H2,(H,14,16,17);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid?
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid has a molecular weight of 392.32 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid is sourced from PubChem (CID 175921320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).