2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol

C6H13NO3 — CID 90248353

IUPAC2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol
SMILESOCCOC1CN(CO)C1
InChIInChI=1S/C6H13NO3/c8-1-2-10-6-3-7(4-6)5-9/h6,8-9H,1-5H2
InChIKeyQGEXPQBYOWQPPM-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.37
Rot. Bonds4

About 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol

2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol (PubChem CID 90248353) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol
PubChem CID90248353
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol
SMILESOCCOC1CN(CO)C1
InChIInChI=1S/C6H13NO3/c8-1-2-10-6-3-7(4-6)5-9/h6,8-9H,1-5H2
InChIKeyQGEXPQBYOWQPPM-UHFFFAOYSA-N
XLogP-1.37
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propylazetidin-3-yl)oxyethanol
CID 168904280
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
CID 119931535
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
2-piperidin-3-yloxyethanol
CID 43197065
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
2-[(4-methyl-1,4-oxazepan-6-yl)oxy]ethanol
CID 118230256
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol
CID 71650187

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol (CID 90248353) is 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol is OCCOC1CN(CO)C1.
What is the InChIKey of 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol?
The InChIKey is QGEXPQBYOWQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c8-1-2-10-6-3-7(4-6)5-9/h6,8-9H,1-5H2.
What are the key properties of 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol?
2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol has a molecular weight of 147.17 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)azetidin-3-yl]oxyethanol is sourced from PubChem (CID 90248353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).