(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol

C13H19NO4 — CID 44570115

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol
SMILESCOc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N2C)cc1
InChIInChI=1S/C13H19NO4/c1-14-10(7-15)12(16)13(17)11(14)8-3-5-9(18-2)6-4-8/h3-6,10-13,15-17H,7H2,1-2H3/t10-,11-,12-,13-/m1/s1
InChIKeyFFNSTZJCKNANSZ-FDYHWXHSSA-N
MW253.30 g/mol
LogP-0.24
Rot. Bonds3

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol (PubChem CID 44570115) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol
PubChem CID44570115
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol
SMILESCOc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N2C)cc1
InChIInChI=1S/C13H19NO4/c1-14-10(7-15)12(16)13(17)11(14)8-3-5-9(18-2)6-4-8/h3-6,10-13,15-17H,7H2,1-2H3/t10-,11-,12-,13-/m1/s1
InChIKeyFFNSTZJCKNANSZ-FDYHWXHSSA-N
XLogP-0.24
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-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,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol (CID 44570115) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol is COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N2C)cc1.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol?
The InChIKey is FFNSTZJCKNANSZ-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14-10(7-15)12(16)13(17)11(14)8-3-5-9(18-2)6-4-8/h3-6,10-13,15-17H,7H2,1-2H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol has a molecular weight of 253.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 44570115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).