(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C38H43NO3Si — CID 10698633

IUPAC(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCC(C)[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C38H43NO3Si/c1-29(2)35(43(3,4)34-23-15-8-16-24-34)27-37(41)39-33(25-26-36(39)40)28-42-38(30-17-9-5-10-18-30,31-19-11-6-12-20-31)32-21-13-7-14-22-32/h5-24,29,33,35H,25-28H2,1-4H3/t33-,35+/m0/s1
InChIKeyYIYNOVWOMCBYAL-QWOOXDRHSA-N
MW589.85 g/mol
LogP7.54
Rot. Bonds11

About (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10698633) has the molecular formula C38H43NO3Si and a molecular weight of 589.85 g/mol. Its IUPAC name is (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10698633
Molecular FormulaC38H43NO3Si
Molecular Weight589.85 g/mol
Exact Mass589.30
IUPAC Name(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCC(C)[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C38H43NO3Si/c1-29(2)35(43(3,4)34-23-15-8-16-24-34)27-37(41)39-33(25-26-36(39)40)28-42-38(30-17-9-5-10-18-30,31-19-11-6-12-20-31)32-21-13-7-14-22-32/h5-24,29,33,35H,25-28H2,1-4H3/t33-,35+/m0/s1
InChIKeyYIYNOVWOMCBYAL-QWOOXDRHSA-N
XLogP7.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.85
LogP ≤ 57.54
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'}

Analyze (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10698633) is (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is CC(C)[C@@H](CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is YIYNOVWOMCBYAL-QWOOXDRHSA-N. The full InChI is InChI=1S/C38H43NO3Si/c1-29(2)35(43(3,4)34-23-15-8-16-24-34)27-37(41)39-33(25-26-36(39)40)28-42-38(30-17-9-5-10-18-30,31-19-11-6-12-20-31)32-21-13-7-14-22-32/h5-24,29,33,35H,25-28H2,1-4H3/t33-,35+/m0/s1.
What are the key properties of (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 589.85 g/mol, XLogP of 7.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10698633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).