methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate

C25H35NO3Si — CID 135027270

IUPACmethyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCN[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(20-12-7-5-8-13-20,21-14-9-6-10-15-21)29-19-11-16-23-22(17-18-26-23)24(27)28-4/h5-10,12-15,22-23,26H,11,16-19H2,1-4H3/t22-,23-/m0/s1
InChIKeyRPNNAGUPLGOYNR-GOTSBHOMSA-N
MW425.65 g/mol
LogP3.49
Rot. Bonds8

About methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate

methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate (PubChem CID 135027270) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate
PubChem CID135027270
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Namemethyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCN[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(20-12-7-5-8-13-20,21-14-9-6-10-15-21)29-19-11-16-23-22(17-18-26-23)24(27)28-4/h5-10,12-15,22-23,26H,11,16-19H2,1-4H3/t22-,23-/m0/s1
InChIKeyRPNNAGUPLGOYNR-GOTSBHOMSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]acetate
CID 44305216
5-[(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-oxooxolan-3-yl]pyrrolidin-2-one
CID 44239248
Ethyl 2-(3,4-diphenylpyrrolidin-2-yl)acetate
CID 53986278
ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate
CID 90058688
Methyl 4,4-dibenzylpyrrolidine-3-carboxylate
CID 141155353
4-[4-[Tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one
CID 162383982
tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 162786121
ethyl (2S,3S)-2-benzylpyrrolidine-3-carboxylate
CID 163449445
ethyl (3S)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate
CID 173685702
[6-[4-[Tert-butyl(diphenyl)silyl]oxybutylamino]-11-(cyclotetradecanecarbonyloxy)undecyl] cyclotetradecanecarboxylate
CID 176175485
1-O-cyclopentadecyl 11-O-(2-hexyldecyl) 6-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]undecanedioate
CID 176175493
[6-[4-[Tert-butyl(diphenyl)silyl]oxybutylamino]-11-(3-cyclopentadecylpropanoyloxy)undecyl] 3-cyclopentadecylpropanoate
CID 176175509

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate (CID 135027270) is methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate is COC(=O)[C@H]1CCN[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate?
The InChIKey is RPNNAGUPLGOYNR-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-25(2,3)30(20-12-7-5-8-13-20,21-14-9-6-10-15-21)29-19-11-16-23-22(17-18-26-23)24(27)28-4/h5-10,12-15,22-23,26H,11,16-19H2,1-4H3/t22-,23-/m0/s1.
What are the key properties of methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate?
methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate has a molecular weight of 425.65 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 135027270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).