tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate

C21H39NO8Si — CID 11026943

IUPACtert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H39NO8Si/c1-19(2,3)29-18(26)22-13(14(23)15(24)17(22)25)16(12-11-27-21(7,8)28-12)30-31(9,10)20(4,5)6/h12-16,23-24H,11H2,1-10H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyDJWBYGJWTSTOGH-RBGFHDKUSA-N
MW461.63 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 11026943) has the molecular formula C21H39NO8Si and a molecular weight of 461.63 g/mol. Its IUPAC name is tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID11026943
Molecular FormulaC21H39NO8Si
Molecular Weight461.63 g/mol
Exact Mass461.24
IUPAC Nametert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H39NO8Si/c1-19(2,3)29-18(26)22-13(14(23)15(24)17(22)25)16(12-11-27-21(7,8)28-12)30-31(9,10)20(4,5)6/h12-16,23-24H,11H2,1-10H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyDJWBYGJWTSTOGH-RBGFHDKUSA-N
XLogP2.40
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 (4S)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(3R,4R)-3,4-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidin-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134874831
tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 134875111
tert-butyl (2R)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate
CID 9985422
tert-butyl (4S)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3S,4S)-3,4-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidin-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10721602
tert-butyl (2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10765038
tert-butyl (2R,3S,4S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 10950627
tert-butyl (3R,5S)-3-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11526434
tert-butyl (3R,5S)-3-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11533678
tert-butyl (3S,5R)-3-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11562636
tert-butyl (3S,5R)-3-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11591668
tert-butyl (3R,5S)-3-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11670817

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (CID 11026943) is tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is DJWBYGJWTSTOGH-RBGFHDKUSA-N. The full InChI is InChI=1S/C21H39NO8Si/c1-19(2,3)29-18(26)22-13(14(23)15(24)17(22)25)16(12-11-27-21(7,8)28-12)30-31(9,10)20(4,5)6/h12-16,23-24H,11H2,1-10H3/t12-,13-,14+,15+,16-/m1/s1.
What are the key properties of tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 461.63 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,4S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11026943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).