(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

C13H19NO5 — CID 44569923

IUPAC(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCOc1ccc([C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)c(OC)c1
InChIInChI=1S/C13H19NO5/c1-18-7-3-4-8(10(5-7)19-2)11-13(17)12(16)9(6-15)14-11/h3-5,9,11-17H,6H2,1-2H3/t9-,11-,12-,13-/m1/s1
InChIKeyNAWCPVVMRPCWLF-OJAKKHQRSA-N
MW269.30 g/mol
LogP-0.57
Rot. Bonds4

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

(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 44569923) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID44569923
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCOc1ccc([C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)c(OC)c1
InChIInChI=1S/C13H19NO5/c1-18-7-3-4-8(10(5-7)19-2)11-13(17)12(16)9(6-15)14-11/h3-5,9,11-17H,6H2,1-2H3/t9-,11-,12-,13-/m1/s1
InChIKeyNAWCPVVMRPCWLF-OJAKKHQRSA-N
XLogP-0.57
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 44569923) is (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is COc1ccc([C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)c(OC)c1.
What is the InChIKey of (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is NAWCPVVMRPCWLF-OJAKKHQRSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-7-3-4-8(10(5-7)19-2)11-13(17)12(16)9(6-15)14-11/h3-5,9,11-17H,6H2,1-2H3/t9-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 269.30 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 44569923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).