3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione

C14H15N3O4 — CID 22241185

IUPAC3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione
SMILESCC1(N2Cc3c(N)cccc3C2=O)CC(O)C(=O)NC1=O
InChIInChI=1S/C14H15N3O4/c1-14(5-10(18)11(19)16-13(14)21)17-6-8-7(12(17)20)3-2-4-9(8)15/h2-4,10,18H,5-6,15H2,1H3,(H,16,19,21)
InChIKeyQVKTWUBUZKBHCS-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.61
Rot. Bonds1

About 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione

3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione (PubChem CID 22241185) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione
PubChem CID22241185
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione
SMILESCC1(N2Cc3c(N)cccc3C2=O)CC(O)C(=O)NC1=O
InChIInChI=1S/C14H15N3O4/c1-14(5-10(18)11(19)16-13(14)21)17-6-8-7(12(17)20)3-2-4-9(8)15/h2-4,10,18H,5-6,15H2,1H3,(H,16,19,21)
InChIKeyQVKTWUBUZKBHCS-UHFFFAOYSA-N
XLogP-0.61
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione?
The IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione (CID 22241185) is 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione is CC1(N2Cc3c(N)cccc3C2=O)CC(O)C(=O)NC1=O.
What is the InChIKey of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione?
The InChIKey is QVKTWUBUZKBHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-14(5-10(18)11(19)16-13(14)21)17-6-8-7(12(17)20)3-2-4-9(8)15/h2-4,10,18H,5-6,15H2,1H3,(H,16,19,21).
What are the key properties of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione?
3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione has a molecular weight of 289.29 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 22241185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).