(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one

C22H35NO4Si — CID 135013430

IUPAC(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
SMILESC[C@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2CCC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C22H35NO4Si/c1-16-25-15-19(27-28(5,6)22(2,3)4)21(26-16)18-12-13-20(24)23(18)14-17-10-8-7-9-11-17/h7-11,16,18-19,21H,12-15H2,1-6H3/t16-,18+,19+,21+/m0/s1
InChIKeyFRIYZJHRINKFCL-HKJQZYRSSA-N
MW405.61 g/mol
LogP4.33
Rot. Bonds5

About (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one

(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one (PubChem CID 135013430) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
PubChem CID135013430
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Name(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
SMILESC[C@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2CCC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C22H35NO4Si/c1-16-25-15-19(27-28(5,6)22(2,3)4)21(26-16)18-12-13-20(24)23(18)14-17-10-8-7-9-11-17/h7-11,16,18-19,21H,12-15H2,1-6H3/t16-,18+,19+,21+/m0/s1
InChIKeyFRIYZJHRINKFCL-HKJQZYRSSA-N
XLogP4.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 54.33
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

(5R)-1-benzyl-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10884298
(5S)-1-benzyl-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 11038157
(2S)-2-[(4S,5S)-5-[(R)-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyacetaldehyde
CID 11114609
(5S)-1-benzyl-5-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
CID 53494485
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one
CID 135012517
(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
CID 135013429
[(2S,4R,5R)-4-[(2R)-1-benzylpyrrolidin-2-yl]-2-methyl-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
CID 135013431
methyl (4R)-4-[benzyl(hydroxy)amino]-4-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]butanoate
CID 135013432
(5S)-1-benzyl-5-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
CID 135013513
methyl 4-[benzyl(hydroxy)amino]-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]butanoate
CID 135013614
(4R,5R)-5-[(S)-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10884818
(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10907127

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one (CID 135013430) is (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one is C[C@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2CCC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
The InChIKey is FRIYZJHRINKFCL-HKJQZYRSSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-16-25-15-19(27-28(5,6)22(2,3)4)21(26-16)18-12-13-20(24)23(18)14-17-10-8-7-9-11-17/h7-11,16,18-19,21H,12-15H2,1-6H3/t16-,18+,19+,21+/m0/s1.
What are the key properties of (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one has a molecular weight of 405.61 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 135013430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).