tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate

C27H37NO4Si — CID 173256595

IUPACtert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@](C)(CO[SiH](c2ccccc2)c2ccccc2)C[C@H]1C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-25(2,3)22-18-27(7,23(29)28(22)24(30)32-26(4,5)6)19-31-33(20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22,33H,18-19H2,1-7H3/t22-,27+/m0/s1
InChIKeyAKMMLNWKHDKXJX-WXVAWEFUSA-N
MW467.68 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate

tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate (PubChem CID 173256595) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
PubChem CID173256595
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Nametert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@](C)(CO[SiH](c2ccccc2)c2ccccc2)C[C@H]1C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-25(2,3)22-18-27(7,23(29)28(22)24(30)32-26(4,5)6)19-31-33(20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22,33H,18-19H2,1-7H3/t22-,27+/m0/s1
InChIKeyAKMMLNWKHDKXJX-WXVAWEFUSA-N
XLogP4.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4S)-4-acetyloxy-2-tert-butyl-2-(diphenylsilyloxymethyl)pyrrolidine-1-carboxylate
CID 173161734
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 154598023
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956
tert-butyl (2R,4S,5R)-1-benzyl-4-tert-butyl-5-(diphenylsilyloxymethyl)-5-ethenylpyrrolidine-2-carboxylate
CID 173225233
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67159799
tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate
CID 101004794
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate (CID 173256595) is tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@](C)(CO[SiH](c2ccccc2)c2ccccc2)C[C@H]1C(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate?
The InChIKey is AKMMLNWKHDKXJX-WXVAWEFUSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-25(2,3)22-18-27(7,23(29)28(22)24(30)32-26(4,5)6)19-31-33(20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22,33H,18-19H2,1-7H3/t22-,27+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate has a molecular weight of 467.68 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 173256595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).