(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride

C5H12ClNO3 — CID 11953777

IUPAC(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
SMILESCl.OC[C@H]1NC[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/t3-,4-,5-;/m1./s1
InChIKeyPZGVJCJRMKIVLJ-DEVUXVJFSA-N
MW169.61 g/mol
LogP-1.91
Rot. Bonds1

About (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride

(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride (PubChem CID 11953777) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
PubChem CID11953777
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
SMILESCl.OC[C@H]1NC[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/t3-,4-,5-;/m1./s1
InChIKeyPZGVJCJRMKIVLJ-DEVUXVJFSA-N
XLogP-1.91
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride 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 (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride (CID 11953777) is (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride is Cl.OC[C@H]1NC[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
The InChIKey is PZGVJCJRMKIVLJ-DEVUXVJFSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/t3-,4-,5-;/m1./s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride?
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -1.91, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride is sourced from PubChem (CID 11953777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).