tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

C24H41NO6Si — CID 134962764

IUPACtert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1COCc1ccccc1
InChIInChI=1S/C24H41NO6Si/c1-22(2,3)31-21(27)25-16-24(28,17-30-32(7,8)23(4,5)6)20(26)19(25)15-29-14-18-12-10-9-11-13-18/h9-13,19-20,26,28H,14-17H2,1-8H3/t19-,20-,24-/m1/s1
InChIKeyRPXRUHVIQXGERY-YOSAUDMPSA-N
MW467.68 g/mol
LogP3.94
Rot. Bonds7

About tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 134962764) has the molecular formula C24H41NO6Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID134962764
Molecular FormulaC24H41NO6Si
Molecular Weight467.68 g/mol
Exact Mass467.27
IUPAC Nametert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1COCc1ccccc1
InChIInChI=1S/C24H41NO6Si/c1-22(2,3)31-21(27)25-16-24(28,17-30-32(7,8)23(4,5)6)20(26)19(25)15-29-14-18-12-10-9-11-13-18/h9-13,19-20,26,28H,14-17H2,1-8H3/t19-,20-,24-/m1/s1
InChIKeyRPXRUHVIQXGERY-YOSAUDMPSA-N
XLogP3.94
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzyl 2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
CID 85248335
tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
CID 58420330
Benzyl 2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 139708118
benzyl (2S,4R)-2-(hydroxymethyl)-4-(1-methylcyclobutyl)oxypyrrolidine-1-carboxylate
CID 144223185
Benzyl 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 390240
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68284093
tert-butyl (2S,4R)-4-[(3-fluorophenyl)methoxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 89989930
(2R,3R,4R)-benzyl 2-(acetoxymethyl)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate
CID 118217987
(2R,3S,4S)-benzyl 2-(acetoxymethyl)-4-fluoro-3-hydroxypyrrolidine-1-carboxylate
CID 118217989
benzyl (2R,3R,4R)-3-fluoro-2-(hydroxymethyl)-4-prop-2-enoxypyrrolidine-1-carboxylate
CID 140679263
benzyl (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-3-prop-2-enoxypyrrolidine-1-carboxylate
CID 140679266
benzyl (2S,3R,4R)-4-fluoro-2-(hydroxymethyl)-3-methoxypyrrolidine-1-carboxylate
CID 140741839

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate (CID 134962764) is tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1COCc1ccccc1.
What is the InChIKey of tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is RPXRUHVIQXGERY-YOSAUDMPSA-N. The full InChI is InChI=1S/C24H41NO6Si/c1-22(2,3)31-21(27)25-16-24(28,17-30-32(7,8)23(4,5)6)20(26)19(25)15-29-14-18-12-10-9-11-13-18/h9-13,19-20,26,28H,14-17H2,1-8H3/t19-,20-,24-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 467.68 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134962764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).