tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate

C19H37NO5Si — CID 162786117

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5Si/c1-18(2,3)24-17(22)20-13-15(25-26(8,9)19(4,5)6)12-14(20)10-11-16(21)23-7/h14-15H,10-13H2,1-9H3/t14-,15-/m1/s1
InChIKeyIMSOFUHHLYXGDG-HUUCEWRRSA-N
MW387.59 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 162786117) has the molecular formula C19H37NO5Si and a molecular weight of 387.59 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID162786117
Molecular FormulaC19H37NO5Si
Molecular Weight387.59 g/mol
Exact Mass387.24
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5Si/c1-18(2,3)24-17(22)20-13-15(25-26(8,9)19(4,5)6)12-14(20)10-11-16(21)23-7/h14-15H,10-13H2,1-9H3/t14-,15-/m1/s1
InChIKeyIMSOFUHHLYXGDG-HUUCEWRRSA-N
XLogP4.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate (CID 162786117) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate is COC(=O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is IMSOFUHHLYXGDG-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H37NO5Si/c1-18(2,3)24-17(22)20-13-15(25-26(8,9)19(4,5)6)12-14(20)10-11-16(21)23-7/h14-15H,10-13H2,1-9H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 387.59 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162786117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).