4,6-dihydroxypiperidine-2,3-dione

C5H7NO4 — CID 90948987

IUPAC4,6-dihydroxypiperidine-2,3-dione
SMILESO=C1NC(O)CC(O)C1=O
InChIInChI=1S/C5H7NO4/c7-2-1-3(8)6-5(10)4(2)9/h2-3,7-8H,1H2,(H,6,10)
InChIKeyHBNAQJWLGBLVCL-UHFFFAOYSA-N
MW145.11 g/mol
LogP-2.25
Rot. Bonds

About 4,6-dihydroxypiperidine-2,3-dione

4,6-dihydroxypiperidine-2,3-dione (PubChem CID 90948987) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 4,6-dihydroxypiperidine-2,3-dione.

Molecular Properties

Compound Name4,6-dihydroxypiperidine-2,3-dione
PubChem CID90948987
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name4,6-dihydroxypiperidine-2,3-dione
SMILESO=C1NC(O)CC(O)C1=O
InChIInChI=1S/C5H7NO4/c7-2-1-3(8)6-5(10)4(2)9/h2-3,7-8H,1H2,(H,6,10)
InChIKeyHBNAQJWLGBLVCL-UHFFFAOYSA-N
XLogP-2.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxyazetidine-2,3-dione
CID 56621119
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
4-hydroxyazepane-2,3-dione
CID 117273468
(1S,5R)-2-azabicyclo[3.2.1]octane-3,4-dione
CID 155668799
2-hydroxy-6-oxopiperidine-4-carboxamide
CID 73186454
(1R,7S)-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 57196131
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
4-methylazetidine-2,3-dione
CID 141376893
(3R)-3-hydroxyazetidin-2-one
CID 97184618
(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one
CID 170057913
3,5-dihydroxypiperidin-4-one
CID 91327610
3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione
CID 54564519

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxypiperidine-2,3-dione?
The IUPAC name of 4,6-dihydroxypiperidine-2,3-dione (CID 90948987) is 4,6-dihydroxypiperidine-2,3-dione.
What is the SMILES notation for 4,6-dihydroxypiperidine-2,3-dione?
The canonical SMILES for 4,6-dihydroxypiperidine-2,3-dione is O=C1NC(O)CC(O)C1=O.
What is the InChIKey of 4,6-dihydroxypiperidine-2,3-dione?
The InChIKey is HBNAQJWLGBLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-2-1-3(8)6-5(10)4(2)9/h2-3,7-8H,1H2,(H,6,10).
What are the key properties of 4,6-dihydroxypiperidine-2,3-dione?
4,6-dihydroxypiperidine-2,3-dione has a molecular weight of 145.11 g/mol, XLogP of -2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxypiperidine-2,3-dione is sourced from PubChem (CID 90948987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).