(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C31H37NO3Si — CID 10625185

IUPAC(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C31H37NO3Si/c1-24(36(2,3)4)22-30(34)32-28(20-21-29(32)33)23-35-31(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28H,20-23H2,1-4H3/t24-,28+/m1/s1
InChIKeyRFGUYDRNZSQXFN-YWEHKCAJSA-N
MW499.73 g/mol
LogP6.63
Rot. Bonds9

About (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10625185) has the molecular formula C31H37NO3Si and a molecular weight of 499.73 g/mol. Its IUPAC name is (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10625185
Molecular FormulaC31H37NO3Si
Molecular Weight499.73 g/mol
Exact Mass499.25
IUPAC Name(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C31H37NO3Si/c1-24(36(2,3)4)22-30(34)32-28(20-21-29(32)33)23-35-31(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28H,20-23H2,1-4H3/t24-,28+/m1/s1
InChIKeyRFGUYDRNZSQXFN-YWEHKCAJSA-N
XLogP6.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.73
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10906067
(4S)-5,5-diphenyl-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10927791
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
tert-butyl (3S,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11016235
tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11144938
(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one
CID 11730024
methyl (E)-4-oxo-4-[(5S)-2-oxo-5-(trityloxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 10885174
(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10918621
(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10994288

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10625185) is (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is C[C@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is RFGUYDRNZSQXFN-YWEHKCAJSA-N. The full InChI is InChI=1S/C31H37NO3Si/c1-24(36(2,3)4)22-30(34)32-28(20-21-29(32)33)23-35-31(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28H,20-23H2,1-4H3/t24-,28+/m1/s1.
What are the key properties of (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 499.73 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10625185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).