4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

C14H13N3O4 — CID 10755697

IUPAC4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESC[C@@]1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m1/s1
InChIKeyVZTDWPXKIYLLAT-CQSZACIVSA-N
MW287.27 g/mol
LogP0.06
Rot. Bonds1

About 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 10755697) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID10755697
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESC[C@@]1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m1/s1
InChIKeyVZTDWPXKIYLLAT-CQSZACIVSA-N
XLogP0.06
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
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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Related Compounds

Pomalidomide
CID 134780
Lenalidomide
CID 216326
1H-Isoindole-1,3(2H)-dione, 4-amino-
CID 72914
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
Pomalidomide, (S)-
CID 9965330
Lenalidomide, (S)-
CID 12044976
N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 11572178
Pomalidomide, (R)-
CID 15479857
3-Acetamidophthalimide
CID 138666
3-Amino-N-phenylphthalimide
CID 3448473
3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 11471781
4-Amino-2-(p-tolyl)isoindoline-1,3-dione
CID 834731

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 10755697) is 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is C[C@@]1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is VZTDWPXKIYLLAT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m1/s1.
What are the key properties of 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 287.27 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 10755697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).