tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate

C29H31NO4 — CID 11144938

IUPACtert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO4/c1-28(2,3)34-27(32)30-25(19-20-26(30)31)21-33-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3/t25-/m0/s1
InChIKeyVXOFYJCGAZMGDD-VWLOTQADSA-N
MW457.57 g/mol
LogP5.92
Rot. Bonds6

About tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate

tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 11144938) has the molecular formula C29H31NO4 and a molecular weight of 457.57 g/mol. Its IUPAC name is tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
PubChem CID11144938
Molecular FormulaC29H31NO4
Molecular Weight457.57 g/mol
Exact Mass457.23
IUPAC Nametert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO4/c1-28(2,3)34-27(32)30-25(19-20-26(30)31)21-33-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3/t25-/m0/s1
InChIKeyVXOFYJCGAZMGDD-VWLOTQADSA-N
XLogP5.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate 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 tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate (CID 11144938) is tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is VXOFYJCGAZMGDD-VWLOTQADSA-N. The full InChI is InChI=1S/C29H31NO4/c1-28(2,3)34-27(32)30-25(19-20-26(30)31)21-33-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3/t25-/m0/s1.
What are the key properties of tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 457.57 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11144938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).