(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one

C23H37NO3Si — CID 54209891

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
SMILESC[C@H](Cc1ccccc1)C(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H37NO3Si/c1-17(14-18-12-10-9-11-13-18)20(25)24-19(15-23(5,6)21(24)26)16-27-28(7,8)22(2,3)4/h9-13,17,19H,14-16H2,1-8H3/t17-,19+/m1/s1
InChIKeyPVFFAJJVCRPURU-MJGOQNOKSA-N
MW403.64 g/mol
LogP5.04
Rot. Bonds6

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one (PubChem CID 54209891) has the molecular formula C23H37NO3Si and a molecular weight of 403.64 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
PubChem CID54209891
Molecular FormulaC23H37NO3Si
Molecular Weight403.64 g/mol
Exact Mass403.25
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
SMILESC[C@H](Cc1ccccc1)C(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H37NO3Si/c1-17(14-18-12-10-9-11-13-18)20(25)24-19(15-23(5,6)21(24)26)16-27-28(7,8)22(2,3)4/h9-13,17,19H,14-16H2,1-8H3/t17-,19+/m1/s1
InChIKeyPVFFAJJVCRPURU-MJGOQNOKSA-N
XLogP5.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
CID 11076601
(3S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-fluoro-4-methylphenyl)-3-methylpyrrolidin-2-one
CID 147809840
(4R)-4-benzyl-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(3-fluorophenyl)methyl]pentanoyl]-1,3-oxazolidin-2-one
CID 172246541
(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 54768060
(4R)-4-benzyl-3-[7-[tert-butyl(dimethyl)silyl]oxyheptanoyl]-1,3-oxazolidin-2-one
CID 72163233
(4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 134845256
(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
CID 134845347
CID 134873842
CID 134873842
CID 134873962
CID 134873962
CID 134874085
CID 134874085
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
CID 135019708
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 135019709

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one (CID 54209891) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one is C[C@H](Cc1ccccc1)C(=O)N1C(=O)C(C)(C)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
The InChIKey is PVFFAJJVCRPURU-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H37NO3Si/c1-17(14-18-12-10-9-11-13-18)20(25)24-19(15-23(5,6)21(24)26)16-27-28(7,8)22(2,3)4/h9-13,17,19H,14-16H2,1-8H3/t17-,19+/m1/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one has a molecular weight of 403.64 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-[(2R)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one is sourced from PubChem (CID 54209891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).