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

C13H11N3O4 — CID 57388221

IUPAC4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILES[2H]C1([2H])CC(=O)NC(=O)[C@]1([2H])N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1/i4D2,8D
InChIKeyUVSMNLNDYGZFPF-XMTIQWOTSA-N
MW276.27 g/mol
LogP-0.33
Rot. Bonds1

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

4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 57388221) has the molecular formula C13H11N3O4 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID57388221
Molecular FormulaC13H11N3O4
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILES[2H]C1([2H])CC(=O)NC(=O)[C@]1([2H])N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1/i4D2,8D
InChIKeyUVSMNLNDYGZFPF-XMTIQWOTSA-N
XLogP-0.33
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-0.33
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'}

Analyze 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
2-[(3R)-3-deuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 45101957
4-amino-5,6,7-trideuterio-2-[(3S)-3,4,4,5,5-pentadeuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 140915199
(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione
CID 140915123
4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4,7-diamino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4,7-dichloro-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159696058
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione
CID 155977946
N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 70673935

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 57388221) is 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is [2H]C1([2H])CC(=O)NC(=O)[C@]1([2H])N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is UVSMNLNDYGZFPF-XMTIQWOTSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1/i4D2,8D.
What are the key properties of 4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 276.27 g/mol, XLogP of -0.33, 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)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 57388221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).