(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol

C20H25NO4 — CID 46201680

IUPAC(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol
SMILESOC[C@H]1N[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H25NO4/c22-11-17-20(25-13-16-9-5-2-6-10-16)19(23)18(21-17)14-24-12-15-7-3-1-4-8-15/h1-10,17-23H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKeyXEZQJZCKUWJJMB-UAFMIMERSA-N
MW343.42 g/mol
LogP1.48
Rot. Bonds8

About (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol

(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol (PubChem CID 46201680) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol
PubChem CID46201680
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol
SMILESOC[C@H]1N[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H25NO4/c22-11-17-20(25-13-16-9-5-2-6-10-16)19(23)18(21-17)14-24-12-15-7-3-1-4-8-15/h1-10,17-23H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKeyXEZQJZCKUWJJMB-UAFMIMERSA-N
XLogP1.48
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol (CID 46201680) is (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol is OC[C@H]1N[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
The InChIKey is XEZQJZCKUWJJMB-UAFMIMERSA-N. The full InChI is InChI=1S/C20H25NO4/c22-11-17-20(25-13-16-9-5-2-6-10-16)19(23)18(21-17)14-24-12-15-7-3-1-4-8-15/h1-10,17-23H,11-14H2/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol?
(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol has a molecular weight of 343.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 46201680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).