(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol

C6H13NO2 — CID 163883112

IUPAC(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
SMILESCC1N[C@H](C)[C@@H](O)C1O
InChIInChI=1S/C6H13NO2/c1-3-5(8)6(9)4(2)7-3/h3-9H,1-2H3/t3-,4?,5-,6?/m1/s1
InChIKeyPUZTXPBQAXFVCF-MNTXREMCSA-N
MW131.17 g/mol
LogP-0.91
Rot. Bonds

About (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol

(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol (PubChem CID 163883112) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
PubChem CID163883112
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
SMILESCC1N[C@H](C)[C@@H](O)C1O
InChIInChI=1S/C6H13NO2/c1-3-5(8)6(9)4(2)7-3/h3-9H,1-2H3/t3-,4?,5-,6?/m1/s1
InChIKeyPUZTXPBQAXFVCF-MNTXREMCSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol (CID 163883112) is (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol is CC1N[C@H](C)[C@@H](O)C1O.
What is the InChIKey of (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol?
The InChIKey is PUZTXPBQAXFVCF-MNTXREMCSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(8)6(9)4(2)7-3/h3-9H,1-2H3/t3-,4?,5-,6?/m1/s1.
What are the key properties of (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol?
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol has a molecular weight of 131.17 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,5-dimethylpyrrolidine-3,4-diol is sourced from PubChem (CID 163883112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).