(2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one

C7H11NO4 — CID 101128588

IUPAC(2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCOC1=C(O)[C@H](O)[C@@H](C)NC1=O
InChIInChI=1S/C7H11NO4/c1-3-4(9)5(10)6(12-2)7(11)8-3/h3-4,9-10H,1-2H3,(H,8,11)/t3-,4-/m1/s1
InChIKeyZULVUBFJZUTKEW-QWWZWVQMSA-N
MW173.17 g/mol
LogP-0.72
Rot. Bonds1

About (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one

(2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 101128588) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID101128588
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCOC1=C(O)[C@H](O)[C@@H](C)NC1=O
InChIInChI=1S/C7H11NO4/c1-3-4(9)5(10)6(12-2)7(11)8-3/h3-4,9-10H,1-2H3,(H,8,11)/t3-,4-/m1/s1
InChIKeyZULVUBFJZUTKEW-QWWZWVQMSA-N
XLogP-0.72
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one (CID 101128588) is (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one is COC1=C(O)[C@H](O)[C@@H](C)NC1=O.
What is the InChIKey of (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is ZULVUBFJZUTKEW-QWWZWVQMSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-4(9)5(10)6(12-2)7(11)8-3/h3-4,9-10H,1-2H3,(H,8,11)/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
(2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 173.17 g/mol, XLogP of -0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,4-dihydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 101128588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).