(3S,4R)-1,2-dimethylpyrrolidine-3,4-diol

C6H13NO2 — CID 46933719

IUPAC(3S,4R)-1,2-dimethylpyrrolidine-3,4-diol
SMILESCC1[C@H](O)[C@H](O)CN1C
InChIInChI=1S/C6H13NO2/c1-4-6(9)5(8)3-7(4)2/h4-6,8-9H,3H2,1-2H3/t4?,5-,6+/m1/s1
InChIKeyYIYTWYXGLOSAHE-UVCATTPVSA-N
MW131.17 g/mol
LogP-0.96
Rot. Bonds

About (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol

(3S,4R)-1,2-dimethylpyrrolidine-3,4-diol (PubChem CID 46933719) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1,2-dimethylpyrrolidine-3,4-diol
PubChem CID46933719
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3S,4R)-1,2-dimethylpyrrolidine-3,4-diol
SMILESCC1[C@H](O)[C@H](O)CN1C
InChIInChI=1S/C6H13NO2/c1-4-6(9)5(8)3-7(4)2/h4-6,8-9H,3H2,1-2H3/t4?,5-,6+/m1/s1
InChIKeyYIYTWYXGLOSAHE-UVCATTPVSA-N
XLogP-0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-1,2-dimethylpyrrolidine-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 (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol (CID 46933719) is (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol is CC1[C@H](O)[C@H](O)CN1C.
What is the InChIKey of (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol?
The InChIKey is YIYTWYXGLOSAHE-UVCATTPVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-6(9)5(8)3-7(4)2/h4-6,8-9H,3H2,1-2H3/t4?,5-,6+/m1/s1.
What are the key properties of (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol?
(3S,4R)-1,2-dimethylpyrrolidine-3,4-diol has a molecular weight of 131.17 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,2-dimethylpyrrolidine-3,4-diol is sourced from PubChem (CID 46933719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).