ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate

C24H39NO4Si — CID 14753722

IUPACethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C[C@H]1C(C)=O
InChIInChI=1S/C24H39NO4Si/c1-8-28-23(27)14-20-21(18(2)26)16-25(15-19-12-10-9-11-13-19)22(20)17-29-30(6,7)24(3,4)5/h9-13,20-22H,8,14-17H2,1-7H3/t20-,21-,22+/m0/s1
InChIKeyDWACAKNUCVIOGE-FDFHNCONSA-N
MW433.67 g/mol
LogP4.67
Rot. Bonds9

About ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate

ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate (PubChem CID 14753722) has the molecular formula C24H39NO4Si and a molecular weight of 433.67 g/mol. Its IUPAC name is ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate
PubChem CID14753722
Molecular FormulaC24H39NO4Si
Molecular Weight433.67 g/mol
Exact Mass433.26
IUPAC Nameethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C[C@H]1C(C)=O
InChIInChI=1S/C24H39NO4Si/c1-8-28-23(27)14-20-21(18(2)26)16-25(15-19-12-10-9-11-13-19)22(20)17-29-30(6,7)24(3,4)5/h9-13,20-22H,8,14-17H2,1-7H3/t20-,21-,22+/m0/s1
InChIKeyDWACAKNUCVIOGE-FDFHNCONSA-N
XLogP4.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.67
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate 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

1-fluorobutyl (2R,4R,5R)-5-(2-acetylpentyl)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69952007
1-fluorobutyl (2R,4R,5R)-5-(2-acetylpentyl)-1-benzyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69952914
1-Fluorobutyl 1-benzyl-5-ethenyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69953513
1-fluorobutyl (2R,4S,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-2-carboxylate
CID 69953523
1-fluorobutyl (2R,4R,5S)-1-benzyl-5-ethenyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69962959
tert-butyl (2R,4R,5R)-1-benzyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-2-carboxylate
CID 88072183
ethyl (2R)-2-[(3S,4S)-4-acetyl-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate
CID 15890921
ethyl 2-[(2R,3S)-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dichloro-5-oxopyrrolidin-3-yl]acetate
CID 134847689
ethyl (2S)-2-[(3R,4R)-4-acetyl-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate
CID 134905314
(3S,3aS,7aR)-3-acetyl-1-benzyl-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one
CID 134925356
ethyl 2-[(2S,3R,4S)-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 11027263
methyl (2R,3R,5R)-1-benzyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 101525261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate (CID 14753722) is ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate is CCOC(=O)C[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C[C@H]1C(C)=O.
What is the InChIKey of ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate?
The InChIKey is DWACAKNUCVIOGE-FDFHNCONSA-N. The full InChI is InChI=1S/C24H39NO4Si/c1-8-28-23(27)14-20-21(18(2)26)16-25(15-19-12-10-9-11-13-19)22(20)17-29-30(6,7)24(3,4)5/h9-13,20-22H,8,14-17H2,1-7H3/t20-,21-,22+/m0/s1.
What are the key properties of ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate?
ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate has a molecular weight of 433.67 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3S,4S)-4-acetyl-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]acetate is sourced from PubChem (CID 14753722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).