methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate

C20H29NO5Si — CID 160623868

IUPACmethyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate
SMILESCOC(=O)[C@@H]1CC=CN1C(=O)c1c(C)cccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C20H29NO5Si/c1-15-8-6-10-17(26-14-25-12-13-27(3,4)5)18(15)19(22)21-11-7-9-16(21)20(23)24-2/h6-8,10-11,16H,9,12-14H2,1-5H3/t16-/m0/s1
InChIKeyDUNLASQEGWRQOQ-INIZCTEOSA-N
MW391.54 g/mol
LogP3.59
Rot. Bonds8

About methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate

methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate (PubChem CID 160623868) has the molecular formula C20H29NO5Si and a molecular weight of 391.54 g/mol. Its IUPAC name is methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate
PubChem CID160623868
Molecular FormulaC20H29NO5Si
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Namemethyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate
SMILESCOC(=O)[C@@H]1CC=CN1C(=O)c1c(C)cccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C20H29NO5Si/c1-15-8-6-10-17(26-14-25-12-13-27(3,4)5)18(15)19(22)21-11-7-9-16(21)20(23)24-2/h6-8,10-11,16H,9,12-14H2,1-5H3/t16-/m0/s1
InChIKeyDUNLASQEGWRQOQ-INIZCTEOSA-N
XLogP3.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate 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

methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157123032
methyl 1,8-dimethoxy-9-oxo-3-(2-trimethylsilylethoxymethoxy)xanthene-4-carboxylate
CID 10742636
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 151839763
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate
CID 156593558
trimethyl-[2-[[2-(trifluoromethyl)phenoxy]methoxy]ethyl]silane
CID 177342967
4-[2,3-bis(2-trimethylsilylethoxymethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 160718802
3-[3-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]propanal
CID 87793860
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate (CID 160623868) is methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate is COC(=O)[C@@H]1CC=CN1C(=O)c1c(C)cccc1OCOCC[Si](C)(C)C.
What is the InChIKey of methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate?
The InChIKey is DUNLASQEGWRQOQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29NO5Si/c1-15-8-6-10-17(26-14-25-12-13-27(3,4)5)18(15)19(22)21-11-7-9-16(21)20(23)24-2/h6-8,10-11,16H,9,12-14H2,1-5H3/t16-/m0/s1.
What are the key properties of methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate?
methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate has a molecular weight of 391.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate is sourced from PubChem (CID 160623868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).