(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione

C13H13N3O3 — CID 140915044

IUPAC(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILES[2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N([C@@H]1CCC(=O)NC1=O)C2([2H])[2H]
InChIInChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m1/s1/i1D,2D,3D,6D2
InChIKeyGOTYRUGSSMKFNF-KZCGGAIRSA-N
MW264.30 g/mol
LogP0.03
Rot. Bonds1

About (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione

(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 140915044) has the molecular formula C13H13N3O3 and a molecular weight of 264.30 g/mol. Its IUPAC name is (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione
PubChem CID140915044
Molecular FormulaC13H13N3O3
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILES[2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N([C@@H]1CCC(=O)NC1=O)C2([2H])[2H]
InChIInChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m1/s1/i1D,2D,3D,6D2
InChIKeyGOTYRUGSSMKFNF-KZCGGAIRSA-N
XLogP0.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(7-amino-1,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575837
3-(7-amino-4,5-dideuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 46865765
5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione
CID 46208616
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione
CID 140915123
3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 164846453
3-[1,4,5,6-tetradeuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582828
(3R)-3-[4,5,6-trideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915014
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
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-(4-amino-1-oxo-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-g]isoquinolin-2-yl)piperidine-2,6-dione
CID 164920093

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione (CID 140915044) is (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione is [2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N([C@@H]1CCC(=O)NC1=O)C2([2H])[2H].
What is the InChIKey of (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is GOTYRUGSSMKFNF-KZCGGAIRSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m1/s1/i1D,2D,3D,6D2.
What are the key properties of (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione?
(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 264.30 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 140915044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).