(3R,4S)-1-methylpyrrolidine-3,4-diol

C5H11NO2 — CID 22866750

IUPAC(3R,4S)-1-methylpyrrolidine-3,4-diol
SMILESCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C5H11NO2/c1-6-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3/t4-,5+
InChIKeyVJSWVPMFOHDBHG-SYDPRGILSA-N
MW117.15 g/mol
LogP-1.35
Rot. Bonds

About (3R,4S)-1-methylpyrrolidine-3,4-diol

(3R,4S)-1-methylpyrrolidine-3,4-diol (PubChem CID 22866750) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3R,4S)-1-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-methylpyrrolidine-3,4-diol
PubChem CID22866750
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3R,4S)-1-methylpyrrolidine-3,4-diol
SMILESCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C5H11NO2/c1-6-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3/t4-,5+
InChIKeyVJSWVPMFOHDBHG-SYDPRGILSA-N
XLogP-1.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methylpyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-methylpyrrolidine-3,4-diol (CID 22866750) is (3R,4S)-1-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-methylpyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-methylpyrrolidine-3,4-diol is CN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1-methylpyrrolidine-3,4-diol?
The InChIKey is VJSWVPMFOHDBHG-SYDPRGILSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3/t4-,5+.
What are the key properties of (3R,4S)-1-methylpyrrolidine-3,4-diol?
(3R,4S)-1-methylpyrrolidine-3,4-diol has a molecular weight of 117.15 g/mol, XLogP of -1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 22866750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).