tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate

C26H45NO5Si — CID 11477154

IUPACtert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
SMILESCOCCC1(Cc2ccc(OC)cc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H45NO5Si/c1-24(2,3)31-23(28)27-19-22(32-33(9,10)25(4,5)6)18-26(27,15-16-29-7)17-20-11-13-21(30-8)14-12-20/h11-14,22H,15-19H2,1-10H3/t22-,26?/m1/s1
InChIKeyQJMNOPFJLCSTOF-FPSALIRRSA-N
MW479.73 g/mol
LogP6.04
Rot. Bonds8

About tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate

tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 11477154) has the molecular formula C26H45NO5Si and a molecular weight of 479.73 g/mol. Its IUPAC name is tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID11477154
Molecular FormulaC26H45NO5Si
Molecular Weight479.73 g/mol
Exact Mass479.31
IUPAC Nametert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
SMILESCOCCC1(Cc2ccc(OC)cc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H45NO5Si/c1-24(2,3)31-23(28)27-19-22(32-33(9,10)25(4,5)6)18-26(27,15-16-29-7)17-20-11-13-21(30-8)14-12-20/h11-14,22H,15-19H2,1-10H3/t22-,26?/m1/s1
InChIKeyQJMNOPFJLCSTOF-FPSALIRRSA-N
XLogP6.04
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.73
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 11697855
benzyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 134850654
tert-butyl (2R,3S,4S)-3-acetyloxy-2-[(4-methoxyphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylate
CID 11511015
benzyl (2R,3S,4S)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 134850815
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 22107012
(2R,4R)-1-t-Butoxycarbonyl-4-t-butyldimethylsilyloxy-2-{2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl}pyrrolidine
CID 53877636
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-fluoro-2-methoxyphenyl)pyrrolidine-1-carboxylate
CID 67470669
(4R)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-(5-fluoro-2-methoxyphenyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
CID 67470717
(R)-tert-butyl 4-(tert-butyldimethylsilyloxy)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine-1-carboxylate
CID 67470718
(2R,4R)-1-t-butoxycarbonyl-4-t-butyldimethylsilyloxy-2-[2-{4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy}ethyl]pyrrolidine
CID 67584017
(2R,4R)-1-t-Butoxycarbonyl-4-t-butyldimethylsilyloxy-2-[2-{2-[2-(3,4-difluorophenyl)ethyl]-4-fluorophenoxy}ethyl]pyrrolidine
CID 67584773
Tert-butyl 5-[4-(difluoromethoxy)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68240982

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate (CID 11477154) is tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate is COCCC1(Cc2ccc(OC)cc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is QJMNOPFJLCSTOF-FPSALIRRSA-N. The full InChI is InChI=1S/C26H45NO5Si/c1-24(2,3)31-23(28)27-19-22(32-33(9,10)25(4,5)6)18-26(27,15-16-29-7)17-20-11-13-21(30-8)14-12-20/h11-14,22H,15-19H2,1-10H3/t22-,26?/m1/s1.
What are the key properties of tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate?
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 479.73 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11477154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).