(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione

C13H13N3O3 — CID 140915123

IUPAC(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione
SMILES[2H]C1([2H])c2c(N)cccc2C(=O)N1[C@@]1([2H])CCC(=O)NC1=O
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-/m0/s1/i6D2,10D
InChIKeyGOTYRUGSSMKFNF-YOQPZMKCSA-N
MW262.28 g/mol
LogP0.03
Rot. Bonds1

About (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione

(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione (PubChem CID 140915123) has the molecular formula C13H13N3O3 and a molecular weight of 262.28 g/mol. Its IUPAC name is (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione
PubChem CID140915123
Molecular FormulaC13H13N3O3
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione
SMILES[2H]C1([2H])c2c(N)cccc2C(=O)N1[C@@]1([2H])CCC(=O)NC1=O
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-/m0/s1/i6D2,10D
InChIKeyGOTYRUGSSMKFNF-YOQPZMKCSA-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 ≤ 500262.28
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 (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

4-amino-2-(3-deuterio-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 58525684
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3S)-3-deuterio-3-[1,1-dideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140915075
2-[(3R)-3-deuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 45101957
4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 57388221
5-(7-amino-3-oxo-1H-isoindol-2-yl)-3,3,4-trideuteriopiperidine-2,6-dione
CID 88575828
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
(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 140915044
3-deuterio-3-[1,1-dideuterio-7-[dideuterio-[3-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140817505
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
(3S)-3-(7-amino-1,1-dideuterio-5-fluoro-3-oxoisoindol-2-yl)-3,4,4,5,5-pentadeuteriopiperidine-2,6-dione
CID 140817522
(3S)-3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 153447380

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione?
The IUPAC name of (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione (CID 140915123) is (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione?
The canonical SMILES for (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione is [2H]C1([2H])c2c(N)cccc2C(=O)N1[C@@]1([2H])CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione?
The InChIKey is GOTYRUGSSMKFNF-YOQPZMKCSA-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-/m0/s1/i6D2,10D.
What are the key properties of (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione?
(3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione has a molecular weight of 262.28 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 (3S)-3-(7-amino-1,1-dideuterio-3-oxoisoindol-2-yl)-3-deuteriopiperidine-2,6-dione is sourced from PubChem (CID 140915123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).