(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol

C9H19NO3 — CID 45380291

IUPAC(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
SMILESOCCCCC[C@H]1NC[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H19NO3/c11-5-3-1-2-4-7-9(13)8(12)6-10-7/h7-13H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyDMBZHMCCQNYVGU-IWSPIJDZSA-N
MW189.25 g/mol
LogP-0.77
Rot. Bonds5

About (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol

(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol (PubChem CID 45380291) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
PubChem CID45380291
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
SMILESOCCCCC[C@H]1NC[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H19NO3/c11-5-3-1-2-4-7-9(13)8(12)6-10-7/h7-13H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyDMBZHMCCQNYVGU-IWSPIJDZSA-N
XLogP-0.77
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
CID 11171290
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-octylpiperidine-3,4-diol
CID 122657807
6-heptyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 72785115
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 102214110
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol
CID 162861029
4-[(2S)-aziridin-2-yl]butan-1-ol
CID 99770578
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol (CID 45380291) is (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol is OCCCCC[C@H]1NC[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol?
The InChIKey is DMBZHMCCQNYVGU-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H19NO3/c11-5-3-1-2-4-7-9(13)8(12)6-10-7/h7-13H,1-6H2/t7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol?
(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 45380291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).