3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione

C13H17N3O4 — CID 123645575

IUPAC3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
SMILESNC1CCCc2c1c(O)n(C1CCC(=O)NC1=O)c2O
InChIInChI=1S/C13H17N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h7-8,19-20H,1-5,14H2,(H,15,17,18)
InChIKeyQTZYBMJNZQAXOO-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.21
Rot. Bonds1

About 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione

3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione (PubChem CID 123645575) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
PubChem CID123645575
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
SMILESNC1CCCc2c1c(O)n(C1CCC(=O)NC1=O)c2O
InChIInChI=1S/C13H17N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h7-8,19-20H,1-5,14H2,(H,15,17,18)
InChIKeyQTZYBMJNZQAXOO-UHFFFAOYSA-N
XLogP0.21
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
CID 175801319
(3R)-3-aminopiperidine-2,6-dione;hydrobromide
CID 69352156
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one
CID 154732041
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,7-dioxoazepan-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733089
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione
CID 171588129
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
CID 177057043

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione (CID 123645575) is 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione is NC1CCCc2c1c(O)n(C1CCC(=O)NC1=O)c2O.
What is the InChIKey of 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is QTZYBMJNZQAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h7-8,19-20H,1-5,14H2,(H,15,17,18).
What are the key properties of 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione?
3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 279.30 g/mol, XLogP of 0.21, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 123645575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).