(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione

C10H13NO5 — CID 162920214

IUPAC(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
SMILESCOC1=CC(=O)N(C)C(=O)[C@@]1(O)CC(C)=O
InChIInChI=1S/C10H13NO5/c1-6(12)5-10(15)7(16-3)4-8(13)11(2)9(10)14/h4,15H,5H2,1-3H3/t10-/m1/s1
InChIKeyOUJZJCJPABVTHT-SNVBAGLBSA-N
MW227.22 g/mol
LogP-0.77
Rot. Bonds3

About (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione

(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione (PubChem CID 162920214) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
PubChem CID162920214
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
SMILESCOC1=CC(=O)N(C)C(=O)[C@@]1(O)CC(C)=O
InChIInChI=1S/C10H13NO5/c1-6(12)5-10(15)7(16-3)4-8(13)11(2)9(10)14/h4,15H,5H2,1-3H3/t10-/m1/s1
InChIKeyOUJZJCJPABVTHT-SNVBAGLBSA-N
XLogP-0.77
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione?
The IUPAC name of (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione (CID 162920214) is (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione.
What is the SMILES notation for (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione?
The canonical SMILES for (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione is COC1=CC(=O)N(C)C(=O)[C@@]1(O)CC(C)=O.
What is the InChIKey of (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione?
The InChIKey is OUJZJCJPABVTHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO5/c1-6(12)5-10(15)7(16-3)4-8(13)11(2)9(10)14/h4,15H,5H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione?
(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione has a molecular weight of 227.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione is sourced from PubChem (CID 162920214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).