[(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate

C19H29NO4Si — CID 11783430

IUPAC[(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate
SMILESCC(=O)OC1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H29NO4Si/c1-14(21)23-18-16(24-25(5,6)19(2,3)4)12-17(22)20(18)13-15-10-8-7-9-11-15/h7-11,16,18H,12-13H2,1-6H3/t16-,18?/m0/s1
InChIKeyNSGOHJQPIOGRAY-ATNAJCNCSA-N
MW363.53 g/mol
LogP3.70
Rot. Bonds5

About [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate

[(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate (PubChem CID 11783430) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate.

Molecular Properties

Compound Name[(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate
PubChem CID11783430
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Name[(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate
SMILESCC(=O)OC1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H29NO4Si/c1-14(21)23-18-16(24-25(5,6)19(2,3)4)12-17(22)20(18)13-15-10-8-7-9-11-15/h7-11,16,18H,12-13H2,1-6H3/t16-,18?/m0/s1
InChIKeyNSGOHJQPIOGRAY-ATNAJCNCSA-N
XLogP3.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.70
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

(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 10072426
[(3S,4R)-4-acetyloxy-1-benzyl-2,5-dioxopyrrolidin-3-yl] acetate
CID 10935626
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxypyrrolidin-2-one
CID 10095360
[(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate
CID 10435813
1-Benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate
CID 10586687
(4S,5S)-4,5-Bis(acetyloxy)-1-(phenylmethyl)-2-pyrrolidinone
CID 10637302
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione
CID 11415931
(3S,4S)-1-benzyl-3-buta-2,3-dienyl-5-ethoxy-4-hydroxypyrrolidin-2-one
CID 11748186
[(2R,3S)-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 12172851
1-Benzyl-2,5-dioxopyrrolidine-3,4-diyl diacetate
CID 14976990
[(3R,4S)-4-acetyloxy-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl] acetate
CID 14976991
(3S)-1-Benzyl-5-oxopyrrolidine-2,3-diyl diacetate
CID 71405910

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate?
The IUPAC name of [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate (CID 11783430) is [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate.
What is the SMILES notation for [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate?
The canonical SMILES for [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate is CC(=O)OC1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)N1Cc1ccccc1.
What is the InChIKey of [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate?
The InChIKey is NSGOHJQPIOGRAY-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-14(21)23-18-16(24-25(5,6)19(2,3)4)12-17(22)20(18)13-15-10-8-7-9-11-15/h7-11,16,18H,12-13H2,1-6H3/t16-,18?/m0/s1.
What are the key properties of [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate?
[(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate has a molecular weight of 363.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidin-2-yl] acetate is sourced from PubChem (CID 11783430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).