tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

C29H41NO5Si — CID 162786121

IUPACtert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)C[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H41NO5Si/c1-28(2,3)35-27(32)30-20-22(18-23(30)19-26(31)33-7)21-34-36(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21H2,1-7H3/t22-,23+/m0/s1
InChIKeyMPGZUYGTJICMJF-XZOQPEGZSA-N
MW511.74 g/mol
LogP4.75
Rot. Bonds7

About tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 162786121) has the molecular formula C29H41NO5Si and a molecular weight of 511.74 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID162786121
Molecular FormulaC29H41NO5Si
Molecular Weight511.74 g/mol
Exact Mass511.28
IUPAC Nametert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)C[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H41NO5Si/c1-28(2,3)35-27(32)30-20-22(18-23(30)19-26(31)33-7)21-34-36(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21H2,1-7H3/t22-,23+/m0/s1
InChIKeyMPGZUYGTJICMJF-XZOQPEGZSA-N
XLogP4.75
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.74
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-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

tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxylate
CID 176319699
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 11465570
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-ethoxypyrrolidine-1-carboxylate
CID 45103027
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 101259554
4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 134849748
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate
CID 135013944
methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate
CID 135027270
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 10950738
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 11577087
tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 21681571
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 21681574

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (CID 162786121) is tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is COC(=O)C[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is MPGZUYGTJICMJF-XZOQPEGZSA-N. The full InChI is InChI=1S/C29H41NO5Si/c1-28(2,3)35-27(32)30-20-22(18-23(30)19-26(31)33-7)21-34-36(29(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21H2,1-7H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 511.74 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162786121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).