benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate

C33H41NO5Si — CID 15479411

IUPACbenzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate
SMILESCC1(C)OC[C@@H]([C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)O1
InChIInChI=1S/C33H41NO5Si/c1-32(2,3)40(26-17-11-7-12-18-26,27-19-13-8-14-20-27)39-28-21-22-34(30(28)29-24-37-33(4,5)38-29)31(35)36-23-25-15-9-6-10-16-25/h6-20,28-30H,21-24H2,1-5H3/t28-,29+,30+/m1/s1
InChIKeyLSEDDQUNYLZGIB-NGDRWEMDSA-N
MW559.78 g/mol
LogP5.49
Rot. Bonds7

About benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate

benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate (PubChem CID 15479411) has the molecular formula C33H41NO5Si and a molecular weight of 559.78 g/mol. Its IUPAC name is benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate
PubChem CID15479411
Molecular FormulaC33H41NO5Si
Molecular Weight559.78 g/mol
Exact Mass559.28
IUPAC Namebenzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate
SMILESCC1(C)OC[C@@H]([C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)O1
InChIInChI=1S/C33H41NO5Si/c1-32(2,3)40(26-17-11-7-12-18-26,27-19-13-8-14-20-27)39-28-21-22-34(30(28)29-24-37-33(4,5)38-29)31(35)36-23-25-15-9-6-10-16-25/h6-20,28-30H,21-24H2,1-5H3/t28-,29+,30+/m1/s1
InChIKeyLSEDDQUNYLZGIB-NGDRWEMDSA-N
XLogP5.49
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.78
LogP ≤ 55.49
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

Benzyl 4-(hydroxymethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 391522
(4S)-3-[[6-(1,4-dioxaspiro[4.5]dec-6-en-7-yl)hex-2-ynyl-dimethylsilyl]methyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101158425
benzyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)propyl]carbamate
CID 134920344
(2r,3r,4r,5r)-N-benzyloxylcarbonyl-3-hydroxyl-2,5-dibenzyloxymethyl-4-benzyloxy-pyrrolidine
CID 67157303
(3aS,6S,6aS)-6-Fluoro-3,3-dimethoxy-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 57551877
benzyl (2S,3S,4S)-2-ethenyl-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 10813139
tert-butyl (2S,3R,4R,5R)-2-benzyl-5-butyl-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11082001
tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypentan-2-yl]carbamate
CID 11239171
(E,2S,3R)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxymethyl)-2-phenylmethoxyhex-4-en-1-one
CID 11445588
tert-butyl (2R,5S)-2-[(4S)-1-[tert-butyl(diphenyl)silyl]oxyoct-7-en-4-yl]-2-ethenyl-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 11578412
benzyl (3aS,4R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 13917313
benzyl N-but-3-enyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate
CID 16084063

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate (CID 15479411) is benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate is CC1(C)OC[C@@H]([C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate?
The InChIKey is LSEDDQUNYLZGIB-NGDRWEMDSA-N. The full InChI is InChI=1S/C33H41NO5Si/c1-32(2,3)40(26-17-11-7-12-18-26,27-19-13-8-14-20-27)39-28-21-22-34(30(28)29-24-37-33(4,5)38-29)31(35)36-23-25-15-9-6-10-16-25/h6-20,28-30H,21-24H2,1-5H3/t28-,29+,30+/m1/s1.
What are the key properties of benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate?
benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate has a molecular weight of 559.78 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15479411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).