(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

C25H41NO6Si — CID 11038157

IUPAC(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
SMILESCC1(C)O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CCC(=O)N2Cc2ccccc2)[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C25H41NO6Si/c1-24(2,3)33(6,7)32-21(23-22(19(28)16-27)30-25(4,5)31-23)18-13-14-20(29)26(18)15-17-11-9-8-10-12-17/h8-12,18-19,21-23,27-28H,13-16H2,1-7H3/t18-,19+,21+,22+,23+/m0/s1
InChIKeyMZAKYCTVRLMLQY-PBLZTVTNSA-N
MW479.69 g/mol
LogP3.44
Rot. Bonds8

About (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

(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 (PubChem CID 11038157) has the molecular formula C25H41NO6Si and a molecular weight of 479.69 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11038157
Molecular FormulaC25H41NO6Si
Molecular Weight479.69 g/mol
Exact Mass479.27
IUPAC Name(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
SMILESCC1(C)O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CCC(=O)N2Cc2ccccc2)[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C25H41NO6Si/c1-24(2,3)33(6,7)32-21(23-22(19(28)16-27)30-25(4,5)31-23)18-13-14-20(29)26(18)15-17-11-9-8-10-12-17/h8-12,18-19,21-23,27-28H,13-16H2,1-7H3/t18-,19+,21+,22+,23+/m0/s1
InChIKeyMZAKYCTVRLMLQY-PBLZTVTNSA-N
XLogP3.44
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 53.44
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

(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
(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
(4R,5S)-3-[(3S)-3-[(4R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanoyl]-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 134839705
(1S,2R,3S,7S,8S,9S,10R)-12-benzyl-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5-dimethyl-8-triethylsilyloxy-4,6-dioxa-12-azatricyclo[8.2.1.03,7]tridecan-11-one
CID 135012811
(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
CID 135013429
(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
(5S)-1-benzyl-5-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
CID 135013513
1-benzyl-5(S)-hydroxymethyl-3(S)-[2-(2-methyl-[1,3]dioxolan-2-yl)ethyl]-pyrrolidin-2-one
CID 18394780
1-Benzyl-5-(hydroxymethyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 22008801
(3R,4R)-1-benzyl-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-hydroxyazetidin-2-one
CID 10526220
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CCC(=O)N2Cc2ccccc2)[C@@H]([C@H](O)CO)O1.
What is the InChIKey of (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?
The InChIKey is MZAKYCTVRLMLQY-PBLZTVTNSA-N. The full InChI is InChI=1S/C25H41NO6Si/c1-24(2,3)33(6,7)32-21(23-22(19(28)16-27)30-25(4,5)31-23)18-13-14-20(29)26(18)15-17-11-9-8-10-12-17/h8-12,18-19,21-23,27-28H,13-16H2,1-7H3/t18-,19+,21+,22+,23+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 479.69 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11038157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).