(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one

C19H22FNO4Si — CID 163935108

IUPAC(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one
SMILESCOCC1NC(=O)[C@](C)(F)[C@@H]1O[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22FNO4Si/c1-19(20)17(16(13-24-2)21-18(19)22)25-26(23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,23H,13H2,1-2H3,(H,21,22)/t16?,17-,19-/m1/s1
InChIKeyRMBIEPWULZFFRO-DOGRWBMSSA-N
MW375.47 g/mol
LogP0.49
Rot. Bonds6

About (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one

(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one (PubChem CID 163935108) has the molecular formula C19H22FNO4Si and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one
PubChem CID163935108
Molecular FormulaC19H22FNO4Si
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one
SMILESCOCC1NC(=O)[C@](C)(F)[C@@H]1O[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22FNO4Si/c1-19(20)17(16(13-24-2)21-18(19)22)25-26(23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,23H,13H2,1-2H3,(H,21,22)/t16?,17-,19-/m1/s1
InChIKeyRMBIEPWULZFFRO-DOGRWBMSSA-N
XLogP0.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one
CID 135013759
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
(4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 16742491
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 57535677
5-(tert-Butyldiphenylsiloxymethyl)pyrrolidine-2-one
CID 58011546
(5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 68018634
4-[Tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 73318327
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(oxan-2-yloxy)pyrrolidin-2-one
CID 141667403
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
CID 151268860

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one (CID 163935108) is (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one is COCC1NC(=O)[C@](C)(F)[C@@H]1O[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one?
The InChIKey is RMBIEPWULZFFRO-DOGRWBMSSA-N. The full InChI is InChI=1S/C19H22FNO4Si/c1-19(20)17(16(13-24-2)21-18(19)22)25-26(23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,23H,13H2,1-2H3,(H,21,22)/t16?,17-,19-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one?
(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 163935108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).