(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol

C8H13N3O3 — CID 130836869

IUPAC(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol
SMILESOC[C@H]1N[C@@H](c2cnc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O3/c12-2-5-7(13)8(14)6(11-5)4-1-9-3-10-4/h1,3,5-8,11-14H,2H2,(H,9,10)/t5-,6+,7-,8+/m1/s1
InChIKeyPRYQXZLBYYNNLU-CWKFCGSDSA-N
MW199.21 g/mol
LogP-1.86
Rot. Bonds2

About (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol (PubChem CID 130836869) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol
PubChem CID130836869
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol
SMILESOC[C@H]1N[C@@H](c2cnc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O3/c12-2-5-7(13)8(14)6(11-5)4-1-9-3-10-4/h1,3,5-8,11-14H,2H2,(H,9,10)/t5-,6+,7-,8+/m1/s1
InChIKeyPRYQXZLBYYNNLU-CWKFCGSDSA-N
XLogP-1.86
TPSA101.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol 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,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol (CID 130836869) is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol is OC[C@H]1N[C@@H](c2cnc[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol?
The InChIKey is PRYQXZLBYYNNLU-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H13N3O3/c12-2-5-7(13)8(14)6(11-5)4-1-9-3-10-4/h1,3,5-8,11-14H,2H2,(H,9,10)/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol?
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol has a molecular weight of 199.21 g/mol, XLogP of -1.86, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(1H-imidazol-5-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 130836869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).