3-(3-methylazetidin-1-yl)propane-1,2-diol

C7H15NO2 — CID 104550367

IUPAC3-(3-methylazetidin-1-yl)propane-1,2-diol
SMILESCC1CN(CC(O)CO)C1
InChIInChI=1S/C7H15NO2/c1-6-2-8(3-6)4-7(10)5-9/h6-7,9-10H,2-5H2,1H3
InChIKeyBWUZMBVVWNKHNE-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.71
Rot. Bonds3

About 3-(3-methylazetidin-1-yl)propane-1,2-diol

3-(3-methylazetidin-1-yl)propane-1,2-diol (PubChem CID 104550367) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(3-methylazetidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-methylazetidin-1-yl)propane-1,2-diol
PubChem CID104550367
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(3-methylazetidin-1-yl)propane-1,2-diol
SMILESCC1CN(CC(O)CO)C1
InChIInChI=1S/C7H15NO2/c1-6-2-8(3-6)4-7(10)5-9/h6-7,9-10H,2-5H2,1H3
InChIKeyBWUZMBVVWNKHNE-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
CID 130679235
3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
CID 106288664
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(2,3-dihydroxypropyl)-3-methylpiperidin-4-one
CID 114500290
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
2-hydroxy-3-(3-methylazetidin-1-yl)propanamide
CID 106172308
3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
CID 139832285
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylazetidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-methylazetidin-1-yl)propane-1,2-diol (CID 104550367) is 3-(3-methylazetidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-methylazetidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-methylazetidin-1-yl)propane-1,2-diol is CC1CN(CC(O)CO)C1.
What is the InChIKey of 3-(3-methylazetidin-1-yl)propane-1,2-diol?
The InChIKey is BWUZMBVVWNKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6-2-8(3-6)4-7(10)5-9/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 3-(3-methylazetidin-1-yl)propane-1,2-diol?
3-(3-methylazetidin-1-yl)propane-1,2-diol has a molecular weight of 145.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylazetidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 104550367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).