methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate

C25H33NO5Si — CID 10389306

IUPACmethyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate
SMILESCOC(=O)[C@@H](OC)[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)[C@H](C)[C@H](c2ccccc2)N1C(=O)OC
InChIInChI=1S/C25H33NO5Si/c1-17-20(18-13-9-7-10-14-18)26(25(28)31-4)21(22(29-2)24(27)30-3)23(17)32(5,6)19-15-11-8-12-16-19/h7-17,20-23H,1-6H3/t17-,20-,21-,22+,23+/m1/s1
InChIKeyZIPWDXINHZHSIK-OPHUTGBKSA-N
MW455.63 g/mol
LogP3.99
Rot. Bonds6

About methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate

methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate (PubChem CID 10389306) has the molecular formula C25H33NO5Si and a molecular weight of 455.63 g/mol. Its IUPAC name is methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate
PubChem CID10389306
Molecular FormulaC25H33NO5Si
Molecular Weight455.63 g/mol
Exact Mass455.21
IUPAC Namemethyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate
SMILESCOC(=O)[C@@H](OC)[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)[C@H](C)[C@H](c2ccccc2)N1C(=O)OC
InChIInChI=1S/C25H33NO5Si/c1-17-20(18-13-9-7-10-14-18)26(25(28)31-4)21(22(29-2)24(27)30-3)23(17)32(5,6)19-15-11-8-12-16-19/h7-17,20-23H,1-6H3/t17-,20-,21-,22+,23+/m1/s1
InChIKeyZIPWDXINHZHSIK-OPHUTGBKSA-N
XLogP3.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-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

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (5S)-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate
CID 10948743
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (5R)-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate
CID 11003259
(4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134903062
(trans)-3-Isopropyl-5-ethoxycarbonyl-4-phenyl-1,3-oxazolidin-2-one
CID 154732270
(3S,4R,5S)-5-[(1S)-1-(dibenzylamino)-3-methylbutyl]-4-[fluoro(dimethyl)silyl]-3-propan-2-yloxolan-2-one
CID 15928556
(4R,5S)-3-tert-Butyl 5-methyl 2,2-dimethyl-4-phenyloxazolidine-3,5-dicarboxylate
CID 15232283
3-O-tert-butyl 5-O-methyl (4S,5R)-2,2-dimethyl-4-(4-phenylphenyl)-1,3-oxazolidine-3,5-dicarboxylate
CID 15232286
3-(t-Boc)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-5-yl]formic Acid Ethyl Ester
CID 29974619
3-O-tert-butyl 5-O-methyl 2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
CID 53969148
ethyl (4S,5R)-3-tert-butoxycarbonyl-2,2-diethyl-4-phenyl-5-oxazolidinecarboxylate
CID 54436966
methyl (4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-(4-trimethylsilylethynylphenyl)-5-oxazolidinecarboxylate
CID 56974792
(4S,5S)-3-t-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-methoxycarbonyl-1,3-oxazolidine
CID 57020377

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate (CID 10389306) is methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate is COC(=O)[C@@H](OC)[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)[C@H](C)[C@H](c2ccccc2)N1C(=O)OC.
What is the InChIKey of methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate?
The InChIKey is ZIPWDXINHZHSIK-OPHUTGBKSA-N. The full InChI is InChI=1S/C25H33NO5Si/c1-17-20(18-13-9-7-10-14-18)26(25(28)31-4)21(22(29-2)24(27)30-3)23(17)32(5,6)19-15-11-8-12-16-19/h7-17,20-23H,1-6H3/t17-,20-,21-,22+,23+/m1/s1.
What are the key properties of methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate?
methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate has a molecular weight of 455.63 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R,5R)-2-[(1S)-1,2-dimethoxy-2-oxoethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10389306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).