(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride

C5H11ClNO3- — CID 51371170

IUPAC(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
SMILESOC[C@H]1NC[C@@H](O)[C@@H]1O.[Cl-]
InChIInChI=1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/p-1/t3-,4-,5-;/m1./s1
InChIKeyPZGVJCJRMKIVLJ-DEVUXVJFSA-M
MW168.60 g/mol
LogP-5.32
Rot. Bonds1

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

(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride (PubChem CID 51371170) has the molecular formula C5H11ClNO3- and a molecular weight of 168.60 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
PubChem CID51371170
Molecular FormulaC5H11ClNO3-
Molecular Weight168.60 g/mol
Exact Mass168.04
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
SMILESOC[C@H]1NC[C@@H](O)[C@@H]1O.[Cl-]
InChIInChI=1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/p-1/t3-,4-,5-;/m1./s1
InChIKeyPZGVJCJRMKIVLJ-DEVUXVJFSA-M
XLogP-5.32
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 5-5.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride (CID 51371170) is (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride is OC[C@H]1NC[C@@H](O)[C@@H]1O.[Cl-].
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride?
The InChIKey is PZGVJCJRMKIVLJ-DEVUXVJFSA-M. The full InChI is InChI=1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/p-1/t3-,4-,5-;/m1./s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride?
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride has a molecular weight of 168.60 g/mol, XLogP of -5.32, 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 chloride is sourced from PubChem (CID 51371170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).