(2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol

C16H19NO3 — CID 22852322

IUPAC(2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c18-10-14-16(20)15(19)9-17(14)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14-16,18-20H,8-10H2/t14-,15+,16-/m1/s1
InChIKeyYHXRTQGKUIGOEA-OWCLPIDISA-N
MW273.33 g/mol
LogP0.74
Rot. Bonds3

About (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol

(2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 22852322) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol
PubChem CID22852322
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c18-10-14-16(20)15(19)9-17(14)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14-16,18-20H,8-10H2/t14-,15+,16-/m1/s1
InChIKeyYHXRTQGKUIGOEA-OWCLPIDISA-N
XLogP0.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)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-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol (CID 22852322) is (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc2ccccc2c1.
What is the InChIKey of (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is YHXRTQGKUIGOEA-OWCLPIDISA-N. The full InChI is InChI=1S/C16H19NO3/c18-10-14-16(20)15(19)9-17(14)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14-16,18-20H,8-10H2/t14-,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol?
(2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol has a molecular weight of 273.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 22852322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).