methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate

C30H33F3N2O5Si — CID 70975932

IUPACmethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H33F3N2O5Si/c1-29(2,3)41(24-11-7-5-8-12-24,25-13-9-6-10-14-25)40-23-19-26(27(36)38-4)35(20-23)28(37)34-21-15-17-22(18-16-21)39-30(31,32)33/h5-18,23,26H,19-20H2,1-4H3,(H,34,37)/t23-,26+/m1/s1
InChIKeyFRLOFYNNMQHZNR-BVAGGSTKSA-N
MW586.68 g/mol
LogP5.31
Rot. Bonds7

About methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate

methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 70975932) has the molecular formula C30H33F3N2O5Si and a molecular weight of 586.68 g/mol. Its IUPAC name is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate
PubChem CID70975932
Molecular FormulaC30H33F3N2O5Si
Molecular Weight586.68 g/mol
Exact Mass586.21
IUPAC Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H33F3N2O5Si/c1-29(2,3)41(24-11-7-5-8-12-24,25-13-9-6-10-14-25)40-23-19-26(27(36)38-4)35(20-23)28(37)34-21-15-17-22(18-16-21)39-30(31,32)33/h5-18,23,26H,19-20H2,1-4H3,(H,34,37)/t23-,26+/m1/s1
InChIKeyFRLOFYNNMQHZNR-BVAGGSTKSA-N
XLogP5.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-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

cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70976300
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
methyl (2S,4R)-4-methoxy-1-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 89304523
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
(2S)-2-methyl-4-(4-phenylphthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;hydrochloride
CID 67379381
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
1-O-tert-butyl 2-O-methyl (2R,4S)-4-phenoxypyrrolidine-1,2-dicarboxylate
CID 10639494
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate (CID 70975932) is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is FRLOFYNNMQHZNR-BVAGGSTKSA-N. The full InChI is InChI=1S/C30H33F3N2O5Si/c1-29(2,3)41(24-11-7-5-8-12-24,25-13-9-6-10-14-25)40-23-19-26(27(36)38-4)35(20-23)28(37)34-21-15-17-22(18-16-21)39-30(31,32)33/h5-18,23,26H,19-20H2,1-4H3,(H,34,37)/t23-,26+/m1/s1.
What are the key properties of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 586.68 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 70975932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).