(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol

C20H26N2O3 — CID 11416597

IUPAC(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@@H](O)CN[C@@H]1CN[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O3/c23-19-12-22-17(20(19)24)11-21-18(16-9-5-2-6-10-16)14-25-13-15-7-3-1-4-8-15/h1-10,17-24H,11-14H2/t17-,18+,19+,20-/m1/s1
InChIKeyKZSSARKFPULSJW-FUMNGEBKSA-N
MW342.44 g/mol
LogP1.23
Rot. Bonds8

About (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol

(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol (PubChem CID 11416597) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol
PubChem CID11416597
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@@H](O)CN[C@@H]1CN[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O3/c23-19-12-22-17(20(19)24)11-21-18(16-9-5-2-6-10-16)14-25-13-15-7-3-1-4-8-15/h1-10,17-24H,11-14H2/t17-,18+,19+,20-/m1/s1
InChIKeyKZSSARKFPULSJW-FUMNGEBKSA-N
XLogP1.23
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol 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,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol (CID 11416597) is (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol is O[C@H]1[C@@H](O)CN[C@@H]1CN[C@@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol?
The InChIKey is KZSSARKFPULSJW-FUMNGEBKSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19-12-22-17(20(19)24)11-21-18(16-9-5-2-6-10-16)14-25-13-15-7-3-1-4-8-15/h1-10,17-24H,11-14H2/t17-,18+,19+,20-/m1/s1.
What are the key properties of (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol?
(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol has a molecular weight of 342.44 g/mol, XLogP of 1.23, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 11416597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).