1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol

C33H35NO4 — CID 22407320

IUPAC1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol
SMILESCOC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1Cc1ccccc1
InChIInChI=1S/C33H35NO4/c1-36-33(37-2,31-23-30(35)25-34(31)24-26-15-7-3-8-16-26)38-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30-31,35H,23-25H2,1-2H3
InChIKeyOUVQMNDLLPLNMR-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.58
Rot. Bonds10

About 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol

1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol (PubChem CID 22407320) has the molecular formula C33H35NO4 and a molecular weight of 509.65 g/mol. Its IUPAC name is 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol
PubChem CID22407320
Molecular FormulaC33H35NO4
Molecular Weight509.65 g/mol
Exact Mass509.26
IUPAC Name1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol
SMILESCOC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1Cc1ccccc1
InChIInChI=1S/C33H35NO4/c1-36-33(37-2,31-23-30(35)25-34(31)24-26-15-7-3-8-16-26)38-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30-31,35H,23-25H2,1-2H3
InChIKeyOUVQMNDLLPLNMR-UHFFFAOYSA-N
XLogP5.58
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol 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 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol (CID 22407320) is 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol is COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol?
The InChIKey is OUVQMNDLLPLNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO4/c1-36-33(37-2,31-23-30(35)25-34(31)24-26-15-7-3-8-16-26)38-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30-31,35H,23-25H2,1-2H3.
What are the key properties of 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol?
1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol has a molecular weight of 509.65 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[dimethoxy(trityloxy)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 22407320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).