2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol

C8H17NO3 — CID 165492630

IUPAC2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COC1CNC1
InChIInChI=1S/C8H17NO3/c1-8(4-10,5-11)6-12-7-2-9-3-7/h7,9-11H,2-6H2,1H3
InChIKeyCNVOEWOSPMFEKL-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.03
Rot. Bonds5

About 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol

2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol (PubChem CID 165492630) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol
PubChem CID165492630
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COC1CNC1
InChIInChI=1S/C8H17NO3/c1-8(4-10,5-11)6-12-7-2-9-3-7/h7,9-11H,2-6H2,1H3
InChIKeyCNVOEWOSPMFEKL-UHFFFAOYSA-N
XLogP-1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-ethoxyazetidine
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3-(2-methylpropoxy)azetidine;hydrochloride
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2-(azetidin-3-yloxy)-N-butan-2-yl-N-methylacetamide
CID 119737733
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
CID 106939889
2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane
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2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
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3-(2-bromoprop-2-enoxy)azetidine
CID 63106273

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol (CID 165492630) is 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)COC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol?
The InChIKey is CNVOEWOSPMFEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(4-10,5-11)6-12-7-2-9-3-7/h7,9-11H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol?
2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol has a molecular weight of 175.23 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 165492630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).