[3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol

C11H23NO4 — CID 176963420

IUPAC[3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol
SMILESCC(C)(C)OCOCN1CC(CO)(CO)C1
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9-15-8-12-4-11(5-12,6-13)7-14/h13-14H,4-9H2,1-3H3
InChIKeyKPJIZSGYNIKCHD-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.02
Rot. Bonds6

About [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol

[3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol (PubChem CID 176963420) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol
PubChem CID176963420
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name[3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol
SMILESCC(C)(C)OCOCN1CC(CO)(CO)C1
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9-15-8-12-4-11(5-12,6-13)7-14/h13-14H,4-9H2,1-3H3
InChIKeyKPJIZSGYNIKCHD-UHFFFAOYSA-N
XLogP0.02
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
CID 171453952
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutyl]methanol
CID 112592330
6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-2-azaspiro[3.3]heptane
CID 145221794
1,4-bis[(2-methylpropan-2-yl)oxymethyl]piperazine
CID 164817435
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167351986
2-(ethoxymethoxymethoxymethoxy)-2-methylpropane
CID 88544063
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine
CID 177085139
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
1-(3-hydroxy-3-propylazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603201
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
2-methyl-2-(prop-2-ynoxymethoxy)propane
CID 154594071

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol (CID 176963420) is [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol is CC(C)(C)OCOCN1CC(CO)(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol?
The InChIKey is KPJIZSGYNIKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(2,3)16-9-15-8-12-4-11(5-12,6-13)7-14/h13-14H,4-9H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol?
[3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidin-3-yl]methanol is sourced from PubChem (CID 176963420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).