tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate

C33H49NO6Si — CID 139040654

IUPACtert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@]1(O)[C@H](C)CN(C(=O)OC(C)(C)C)[C@]1(COCOC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H49NO6Si/c1-10-21-33(36)26(2)22-34(29(35)40-30(3,4)5)32(33,23-38-25-37-9)24-39-41(31(6,7)8,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h10-20,26,36H,1,21-25H2,2-9H3/t26-,32-,33-/m1/s1
InChIKeyOZOZRKVPYDCNEG-AWHRAJPHSA-N
MW583.84 g/mol
LogP5.12
Rot. Bonds11

About tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 139040654) has the molecular formula C33H49NO6Si and a molecular weight of 583.84 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID139040654
Molecular FormulaC33H49NO6Si
Molecular Weight583.84 g/mol
Exact Mass583.33
IUPAC Nametert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@]1(O)[C@H](C)CN(C(=O)OC(C)(C)C)[C@]1(COCOC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H49NO6Si/c1-10-21-33(36)26(2)22-34(29(35)40-30(3,4)5)32(33,23-38-25-37-9)24-39-41(31(6,7)8,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h10-20,26,36H,1,21-25H2,2-9H3/t26-,32-,33-/m1/s1
InChIKeyOZOZRKVPYDCNEG-AWHRAJPHSA-N
XLogP5.12
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-iodo-6-methylhept-4-en-2-yl]pyrrolidine-1-carboxylate
CID 11735069
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10742413
(2R,3R)-3-(tert-butyldiphenylsilanoxy)-2-hydroxymethylpyrrolidine-1-carboxylic Acid Tert-Butyl Ester
CID 57974645
CID 69332410
CID 69332410
Tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 76679052
tert-butyl (2R,3S)-3-{[tert-butyl(diphenyl)silyl]oxy}-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 86634393
tert-butyl (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 89850653
tert-butyl (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 89850664
Tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 164521788
tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxypropoxy)pyrrolidine-1-carboxylate
CID 172108339
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 172360188

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate (CID 139040654) is tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@]1(O)[C@H](C)CN(C(=O)OC(C)(C)C)[C@]1(COCOC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is OZOZRKVPYDCNEG-AWHRAJPHSA-N. The full InChI is InChI=1S/C33H49NO6Si/c1-10-21-33(36)26(2)22-34(29(35)40-30(3,4)5)32(33,23-38-25-37-9)24-39-41(31(6,7)8,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h10-20,26,36H,1,21-25H2,2-9H3/t26-,32-,33-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 583.84 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-(methoxymethoxymethyl)-4-methyl-3-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 139040654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).