methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate

C19H27NO6 — CID 175783980

IUPACmethyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@H](c2c(OC)cc(OC)c(C(C)=O)c2OC)CCN1C
InChIInChI=1S/C19H27NO6/c1-11(21)17-14(23-3)10-15(24-4)18(19(17)26-6)12-7-8-20(2)13(12)9-16(22)25-5/h10,12-13H,7-9H2,1-6H3/t12-,13-/m1/s1
InChIKeyRYIIXFKQZTYIKY-CHWSQXEVSA-N
MW365.43 g/mol
LogP2.27
Rot. Bonds7

About methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate

methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate (PubChem CID 175783980) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate
PubChem CID175783980
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Namemethyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@H](c2c(OC)cc(OC)c(C(C)=O)c2OC)CCN1C
InChIInChI=1S/C19H27NO6/c1-11(21)17-14(23-3)10-15(24-4)18(19(17)26-6)12-7-8-20(2)13(12)9-16(22)25-5/h10,12-13H,7-9H2,1-6H3/t12-,13-/m1/s1
InChIKeyRYIIXFKQZTYIKY-CHWSQXEVSA-N
XLogP2.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate with MolForge

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Related Compounds

[(2R,3S)-3-[3-acetyl-6-(hydroxymethyl)-2,4-dimethoxyphenyl]-1-methylpyrrolidin-2-yl]methyl acetate
CID 155615897
[2-acetyl-6-[(2S,3R)-2-(acetyloxymethyl)-1-methylpyrrolidin-3-yl]-3,5-dimethoxyphenyl] 4-fluorobenzoate
CID 175784068
[2-acetyl-6-[(2S,3R)-2-(acetyloxymethyl)-1-methylpyrrolidin-3-yl]-3,5-dimethoxyphenyl] 2-chloro-3-(propan-2-ylamino)benzoate
CID 87384258
[(1R,2S)-2-(3-acetyl-2,4,6-trimethoxyphenyl)cyclohexyl] acetate
CID 22868491
(E)-1-[2-hydroxy-3-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,6-dimethoxyphenyl]-3-phenylprop-2-en-1-one
CID 53472452
1-[2-hydroxy-4,6-dimethoxy-3-(1-methylpyrrolidin-3-yl)phenyl]ethanone;methyl acetate
CID 144686827
1-[2-hydroxy-4,6-dimethoxy-3-[(3S)-1-methylpyrrolidin-3-yl]phenyl]ethanone
CID 148573605
(E)-3-(4-bromothiophen-2-yl)-1-[2-hydroxy-3-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,6-dimethoxyphenyl]prop-2-en-1-one
CID 53472538
[3-[3-[3-[2-chloro-3-(propan-2-ylamino)phenyl]-3-oxopropanoyl]-2-hydroxy-4,6-dimethoxyphenyl]-1-methylpyrrolidin-2-yl]methyl acetate
CID 87384569
1-[2-hydroxy-3-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,6-dimethoxyphenyl]ethanone
CID 87404895
1-[2-hydroxy-3-[(3S)-3-hydroxy-1-methylpiperidin-4-yl]-6-methoxy-4-methylphenyl]ethanone
CID 164959426
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate (CID 175783980) is methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1[C@H](c2c(OC)cc(OC)c(C(C)=O)c2OC)CCN1C.
What is the InChIKey of methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate?
The InChIKey is RYIIXFKQZTYIKY-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H27NO6/c1-11(21)17-14(23-3)10-15(24-4)18(19(17)26-6)12-7-8-20(2)13(12)9-16(22)25-5/h10,12-13H,7-9H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate?
methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate has a molecular weight of 365.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-3-(3-acetyl-2,4,6-trimethoxyphenyl)-1-methylpyrrolidin-2-yl]acetate is sourced from PubChem (CID 175783980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).