tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate

C30H63NO6Si3 — CID 10886648

IUPACtert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H63NO6Si3/c1-27(2,3)35-26(33)31-22(19-20-24(31)32)25(37-40(17,18)30(10,11)12)23(36-39(15,16)29(7,8)9)21-34-38(13,14)28(4,5)6/h22-23,25H,19-21H2,1-18H3/t22-,23-,25+/m1/s1
InChIKeyHNHRZUKWYSPIMK-OYRHQHFDSA-N
MW618.09 g/mol
LogP8.72
Rot. Bonds9

About tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate

tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate (PubChem CID 10886648) has the molecular formula C30H63NO6Si3 and a molecular weight of 618.09 g/mol. Its IUPAC name is tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate
PubChem CID10886648
Molecular FormulaC30H63NO6Si3
Molecular Weight618.09 g/mol
Exact Mass617.40
IUPAC Nametert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H63NO6Si3/c1-27(2,3)35-26(33)31-22(19-20-24(31)32)25(37-40(17,18)30(10,11)12)23(36-39(15,16)29(7,8)9)21-34-38(13,14)28(4,5)6/h22-23,25H,19-21H2,1-18H3/t22-,23-,25+/m1/s1
InChIKeyHNHRZUKWYSPIMK-OYRHQHFDSA-N
XLogP8.72
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.09
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10741255
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
CID 11360757
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162400570
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-ethoxycarbonyl)ethylpyrrolidine
CID 22865010
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 67885252
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-2,3-dioxopropyl)pyrrolidine-1-carboxylate
CID 67885265
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162786117
Tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate
CID 165163835
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176319780
tert-butyl (2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methoxy-3-oxopropyl)-2-methylpyrrolidine-1-carboxylate
CID 177053848

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate (CID 10886648) is tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate?
The InChIKey is HNHRZUKWYSPIMK-OYRHQHFDSA-N. The full InChI is InChI=1S/C30H63NO6Si3/c1-27(2,3)35-26(33)31-22(19-20-24(31)32)25(37-40(17,18)30(10,11)12)23(36-39(15,16)29(7,8)9)21-34-38(13,14)28(4,5)6/h22-23,25H,19-21H2,1-18H3/t22-,23-,25+/m1/s1.
What are the key properties of tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate?
tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate has a molecular weight of 618.09 g/mol, XLogP of 8.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-2-oxo-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10886648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).