methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate

C29H35NO3Si — CID 57385728

IUPACmethyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(24-16-10-6-11-17-24,25-18-12-7-13-19-25)33-26-20-21-30(27(26)28(31)32-4)22-23-14-8-5-9-15-23/h5-19,26-27H,20-22H2,1-4H3/t26-,27-/m0/s1
InChIKeyBIVKOKOAUQDLJW-SVBPBHIXSA-N
MW473.69 g/mol
LogP4.38
Rot. Bonds7

About methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate

methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate (PubChem CID 57385728) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
PubChem CID57385728
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Namemethyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(24-16-10-6-11-17-24,25-18-12-7-13-19-25)33-26-20-21-30(27(26)28(31)32-4)22-23-14-8-5-9-15-23/h5-19,26-27H,20-22H2,1-4H3/t26-,27-/m0/s1
InChIKeyBIVKOKOAUQDLJW-SVBPBHIXSA-N
XLogP4.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibenzyl-O-(t-butyldimethylsilyl)-L-serine methyl ester
CID 11350497
(S)-Methyl 1-tritylpyrrolidine-2-carboxylate
CID 11337721
methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate
CID 102263792
tert-butyl (2R,5R)-1-benzyl-5-ethenyl-5-[[3-fluorobutyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69953983
Methyl 1-tritylpyrrolidine-2-carboxylate
CID 273737
methyl (2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 15863910
(2S,4R)-1-benzyl-2-methoxycarbonyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 53662624
1-(Diphenylmethyl)-L-proline methyl ester
CID 163261886
N-diphenylmethyl-(s)-proline ethyl ester
CID 11771282
Methyl (4R)-4-hydroxy-1-(triphenylmethyl)-L-prolinate
CID 15927477
methyl (2S)-4-prop-2-ynoxy-1-tritylpyrrolidine-2-carboxylate
CID 134940231
methyl (2S,3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2-carboxylate
CID 139216925

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate (CID 57385728) is methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1Cc1ccccc1.
What is the InChIKey of methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The InChIKey is BIVKOKOAUQDLJW-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-29(2,3)34(24-16-10-6-11-17-24,25-18-12-7-13-19-25)33-26-20-21-30(27(26)28(31)32-4)22-23-14-8-5-9-15-23/h5-19,26-27H,20-22H2,1-4H3/t26-,27-/m0/s1.
What are the key properties of methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate has a molecular weight of 473.69 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 57385728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).