(2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol

C11H15NO3 — CID 44569921

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol
SMILESOC[C@H]1N[C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11-/m1/s1
InChIKeyVXZYWQYETUQRMH-GWOFURMSSA-N
MW209.24 g/mol
LogP-0.59
Rot. Bonds2

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol (PubChem CID 44569921) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol
PubChem CID44569921
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol
SMILESOC[C@H]1N[C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11-/m1/s1
InChIKeyVXZYWQYETUQRMH-GWOFURMSSA-N
XLogP-0.59
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol (CID 44569921) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol is OC[C@H]1N[C@H](c2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol?
The InChIKey is VXZYWQYETUQRMH-GWOFURMSSA-N. The full InChI is InChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol has a molecular weight of 209.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol is sourced from PubChem (CID 44569921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).