(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol

C13H19NO2 — CID 155542296

IUPAC(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
SMILESCc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)N2C)cc1
InChIInChI=1S/C13H19NO2/c1-8-4-6-10(7-5-8)11-13(16)12(15)9(2)14(11)3/h4-7,9,11-13,15-16H,1-3H3/t9-,11-,12-,13-/m1/s1
InChIKeyNZBQFJZZPNJETE-OJAKKHQRSA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds1

About (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol (PubChem CID 155542296) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
PubChem CID155542296
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
SMILESCc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)N2C)cc1
InChIInChI=1S/C13H19NO2/c1-8-4-6-10(7-5-8)11-13(16)12(15)9(2)14(11)3/h4-7,9,11-13,15-16H,1-3H3/t9-,11-,12-,13-/m1/s1
InChIKeyNZBQFJZZPNJETE-OJAKKHQRSA-N
XLogP1.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol (CID 155542296) is (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol is Cc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)N2C)cc1.
What is the InChIKey of (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol?
The InChIKey is NZBQFJZZPNJETE-OJAKKHQRSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-4-6-10(7-5-8)11-13(16)12(15)9(2)14(11)3/h4-7,9,11-13,15-16H,1-3H3/t9-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol has a molecular weight of 221.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 155542296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).