methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate

C26H25NO3 — CID 11811439

IUPACmethyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-29-25(28)27-19-11-18-24(27)20-30-26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-17,19,24H,18,20H2,1H3/t24-/m0/s1
InChIKeySUOZLAZFVATVSA-DEOSSOPVSA-N
MW399.49 g/mol
LogP5.35
Rot. Bonds6

About methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate

methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate (PubChem CID 11811439) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate
PubChem CID11811439
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Namemethyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-29-25(28)27-19-11-18-24(27)20-30-26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-17,19,24H,18,20H2,1H3/t24-/m0/s1
InChIKeySUOZLAZFVATVSA-DEOSSOPVSA-N
XLogP5.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate (CID 11811439) is methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate is COC(=O)N1C=CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is SUOZLAZFVATVSA-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25NO3/c1-29-25(28)27-19-11-18-24(27)20-30-26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-17,19,24H,18,20H2,1H3/t24-/m0/s1.
What are the key properties of methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate?
methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(trityloxymethyl)-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 11811439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).