(2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol

C5H11NO4 — CID 15484685

IUPAC(2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CN1O
InChIInChI=1S/C5H11NO4/c7-2-3-5(9)4(8)1-6(3)10/h3-5,7-10H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyGEDDJAUZSNFFHH-UOWFLXDJSA-N
MW149.15 g/mol
LogP-2.23
Rot. Bonds1

About (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 15484685) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID15484685
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CN1O
InChIInChI=1S/C5H11NO4/c7-2-3-5(9)4(8)1-6(3)10/h3-5,7-10H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyGEDDJAUZSNFFHH-UOWFLXDJSA-N
XLogP-2.23
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol (CID 15484685) is (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)CN1O.
What is the InChIKey of (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is GEDDJAUZSNFFHH-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H11NO4/c7-2-3-5(9)4(8)1-6(3)10/h3-5,7-10H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 149.15 g/mol, XLogP of -2.23, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-hydroxy-2-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 15484685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).