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

C5H10N4O3 — CID 91046319

IUPAC(2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILES[N-]=[N+]=N[C@@]1(O)CN[C@H](CO)[C@H]1O
InChIInChI=1S/C5H10N4O3/c6-9-8-5(12)2-7-3(1-10)4(5)11/h3-4,7,10-12H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyZQDZGJVGOFDWJT-UOWFLXDJSA-N
MW174.16 g/mol
LogP-1.69
Rot. Bonds2

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

(2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 91046319) has the molecular formula C5H10N4O3 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID91046319
Molecular FormulaC5H10N4O3
Molecular Weight174.16 g/mol
Exact Mass174.08
IUPAC Name(2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILES[N-]=[N+]=N[C@@]1(O)CN[C@H](CO)[C@H]1O
InChIInChI=1S/C5H10N4O3/c6-9-8-5(12)2-7-3(1-10)4(5)11/h3-4,7,10-12H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyZQDZGJVGOFDWJT-UOWFLXDJSA-N
XLogP-1.69
TPSA121.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol (CID 91046319) is (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol is [N-]=[N+]=N[C@@]1(O)CN[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is ZQDZGJVGOFDWJT-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H10N4O3/c6-9-8-5(12)2-7-3(1-10)4(5)11/h3-4,7,10-12H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 174.16 g/mol, XLogP of -1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 91046319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).