1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol

C7H15NO3 — CID 130143959

IUPAC1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
SMILESCC1C(O)C(O)CN1CCO
InChIInChI=1S/C7H15NO3/c1-5-7(11)6(10)4-8(5)2-3-9/h5-7,9-11H,2-4H2,1H3
InChIKeyQQOCDDDXBXGAFR-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.60
Rot. Bonds2

About 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol

1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol (PubChem CID 130143959) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
PubChem CID130143959
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
SMILESCC1C(O)C(O)CN1CCO
InChIInChI=1S/C7H15NO3/c1-5-7(11)6(10)4-8(5)2-3-9/h5-7,9-11H,2-4H2,1H3
InChIKeyQQOCDDDXBXGAFR-UHFFFAOYSA-N
XLogP-1.60
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol
CID 155286513
N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 75171674
(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol
CID 89313311
(2S,3S,4S)-1-butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol;(2S,3S,4S)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-diol
CID 67670723
2-(2,3,4-trimethylpiperazin-1-yl)ethanol
CID 127732557
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
2-(2,3-dimethylimidazolidin-1-yl)ethanol
CID 67521197
2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 176615945
(2R,3R,4R,5S)-1-[2-(6-fluoro-1,3-benzodioxol-5-yl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286572
(2R,3R,4R,5S)-2-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
CID 155286527
(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67860397
(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
The IUPAC name of 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol (CID 130143959) is 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol is CC1C(O)C(O)CN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
The InChIKey is QQOCDDDXBXGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5-7(11)6(10)4-8(5)2-3-9/h5-7,9-11H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 130143959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).