3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C14H20N2O4 — CID 128983177

IUPAC3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-9-4-5-12(13(17)15-9)14(18)16-7-11(20-3)6-10(16)8-19-2/h4-5,10-11H,6-8H2,1-3H3,(H,15,17)/t10-,11+/m0/s1
InChIKeyBAZIAWOXYQUGAO-WDEREUQCSA-N
MW280.32 g/mol
LogP0.56
Rot. Bonds4

About 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 128983177) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID128983177
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-9-4-5-12(13(17)15-9)14(18)16-7-11(20-3)6-10(16)8-19-2/h4-5,10-11H,6-8H2,1-3H3,(H,15,17)/t10-,11+/m0/s1
InChIKeyBAZIAWOXYQUGAO-WDEREUQCSA-N
XLogP0.56
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(3,5-dimethyl-1H-pyrrol-2-yl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983104
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128984337
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
(3-bromo-4-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984375
(4-methoxy-3,5-dimethylphenyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984379
(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983154
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanone
CID 128984433
(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 104772709
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 128983155
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 128983177) is 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(C)[nH]c1=O.
What is the InChIKey of 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is BAZIAWOXYQUGAO-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-4-5-12(13(17)15-9)14(18)16-7-11(20-3)6-10(16)8-19-2/h4-5,10-11H,6-8H2,1-3H3,(H,15,17)/t10-,11+/m0/s1.
What are the key properties of 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 280.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 128983177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).