[(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate

C20H19FN2O6 — CID 169299236

IUPAC[(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate
SMILESC[C@]1(F)C(=O)O[C@H](COC(=O)Nc2ccccc2)[C@H]1OC(=O)Nc1ccccc1
InChIInChI=1S/C20H19FN2O6/c1-20(21)16(29-19(26)23-14-10-6-3-7-11-14)15(28-17(20)24)12-27-18(25)22-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3,(H,22,25)(H,23,26)/t15-,16-,20-/m1/s1
InChIKeyQHNZNDYQPJDDHG-JXXFODFXSA-N
MW402.38 g/mol
LogP3.51
Rot. Bonds5

About [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate

[(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate (PubChem CID 169299236) has the molecular formula C20H19FN2O6 and a molecular weight of 402.38 g/mol. Its IUPAC name is [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate
PubChem CID169299236
Molecular FormulaC20H19FN2O6
Molecular Weight402.38 g/mol
Exact Mass402.12
IUPAC Name[(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate
SMILESC[C@]1(F)C(=O)O[C@H](COC(=O)Nc2ccccc2)[C@H]1OC(=O)Nc1ccccc1
InChIInChI=1S/C20H19FN2O6/c1-20(21)16(29-19(26)23-14-10-6-3-7-11-14)15(28-17(20)24)12-27-18(25)22-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3,(H,22,25)(H,23,26)/t15-,16-,20-/m1/s1
InChIKeyQHNZNDYQPJDDHG-JXXFODFXSA-N
XLogP3.51
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate 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 [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate?
The IUPAC name of [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate (CID 169299236) is [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate?
The canonical SMILES for [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate is C[C@]1(F)C(=O)O[C@H](COC(=O)Nc2ccccc2)[C@H]1OC(=O)Nc1ccccc1.
What is the InChIKey of [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate?
The InChIKey is QHNZNDYQPJDDHG-JXXFODFXSA-N. The full InChI is InChI=1S/C20H19FN2O6/c1-20(21)16(29-19(26)23-14-10-6-3-7-11-14)15(28-17(20)24)12-27-18(25)22-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3,(H,22,25)(H,23,26)/t15-,16-,20-/m1/s1.
What are the key properties of [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate?
[(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate has a molecular weight of 402.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-fluoro-4-methyl-5-oxo-3-(phenylcarbamoyloxy)oxolan-2-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 169299236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).