(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol

C10H21NO3 — CID 52939397

IUPAC(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
SMILESCCCCCC[C@H]1N[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(12)9(13)10(14)11-7/h7-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
InChIKeyWDAHMJZVLUBLAO-DOLQZWNJSA-N
MW203.28 g/mol
LogP-0.03
Rot. Bonds5

About (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol

(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol (PubChem CID 52939397) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
PubChem CID52939397
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
SMILESCCCCCC[C@H]1N[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(12)9(13)10(14)11-7/h7-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
InChIKeyWDAHMJZVLUBLAO-DOLQZWNJSA-N
XLogP-0.03
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.03
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,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
CID 98525976
4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772
2-(8-methylnon-8-enyl)-3-octylaziridine
CID 169210996
(2R,3S,4R,5R,6R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 161473437
3-tridecylaziridine-2-carboxamide
CID 13310343
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-octylpiperidine-3,4-diol
CID 122657807
(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol
CID 71286576
6-heptyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 72785115
ethanol;2-undecyl-2,3-dihydro-1H-imidazole
CID 174912710
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
methanol;undecane
CID 161373911

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol?
The IUPAC name of (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol (CID 52939397) is (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol.
What is the SMILES notation for (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol?
The canonical SMILES for (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol is CCCCCC[C@H]1N[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol?
The InChIKey is WDAHMJZVLUBLAO-DOLQZWNJSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(12)9(13)10(14)11-7/h7-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol?
(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol has a molecular weight of 203.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol is sourced from PubChem (CID 52939397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).