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

C12H17NO2 — CID 12016357

IUPAC(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C12H17NO2/c1-8-11(14)12(15)10(13(8)2)9-6-4-3-5-7-9/h3-8,10-12,14-15H,1-2H3/t8-,10-,11-,12-/m1/s1
InChIKeyBGOPHPXMJQZZQM-HJQYOEGKSA-N
MW207.27 g/mol
LogP0.78
Rot. Bonds1

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

(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol (PubChem CID 12016357) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol
PubChem CID12016357
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C12H17NO2/c1-8-11(14)12(15)10(13(8)2)9-6-4-3-5-7-9/h3-8,10-12,14-15H,1-2H3/t8-,10-,11-,12-/m1/s1
InChIKeyBGOPHPXMJQZZQM-HJQYOEGKSA-N
XLogP0.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.78
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-phenylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol (CID 12016357) is (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol is C[C@@H]1[C@@H](O)[C@H](O)[C@@H](c2ccccc2)N1C.
What is the InChIKey of (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol?
The InChIKey is BGOPHPXMJQZZQM-HJQYOEGKSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-11(14)12(15)10(13(8)2)9-6-4-3-5-7-9/h3-8,10-12,14-15H,1-2H3/t8-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol?
(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol has a molecular weight of 207.27 g/mol, XLogP of 0.78, 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-phenylpyrrolidine-3,4-diol is sourced from PubChem (CID 12016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).