[3-(hydroxymethyl)azetidin-3-yl]methanol

C5H11NO2 — CID 21463402

IUPAC[3-(hydroxymethyl)azetidin-3-yl]methanol
SMILESOCC1(CO)CNC1
InChIInChI=1S/C5H11NO2/c7-3-5(4-8)1-6-2-5/h6-8H,1-4H2
InChIKeyJAXQPBINKGFTPK-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.44
Rot. Bonds2

About [3-(hydroxymethyl)azetidin-3-yl]methanol

[3-(hydroxymethyl)azetidin-3-yl]methanol (PubChem CID 21463402) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [3-(hydroxymethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)azetidin-3-yl]methanol
PubChem CID21463402
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[3-(hydroxymethyl)azetidin-3-yl]methanol
SMILESOCC1(CO)CNC1
InChIInChI=1S/C5H11NO2/c7-3-5(4-8)1-6-2-5/h6-8H,1-4H2
InChIKeyJAXQPBINKGFTPK-UHFFFAOYSA-N
XLogP-1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]methanol (CID 21463402) is [3-(hydroxymethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)azetidin-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)azetidin-3-yl]methanol is OCC1(CO)CNC1.
What is the InChIKey of [3-(hydroxymethyl)azetidin-3-yl]methanol?
The InChIKey is JAXQPBINKGFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-3-5(4-8)1-6-2-5/h6-8H,1-4H2.
What are the key properties of [3-(hydroxymethyl)azetidin-3-yl]methanol?
[3-(hydroxymethyl)azetidin-3-yl]methanol has a molecular weight of 117.15 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 21463402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).