1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol

C8H16NO3- — CID 88773805

IUPAC1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol
SMILESCC(O)C1CN([O-])C1(C)CCO
InChIInChI=1S/C8H16NO3/c1-6(11)7-5-9(12)8(7,2)3-4-10/h6-7,10-11H,3-5H2,1-2H3/q-1
InChIKeyBAUPYZJHTMXCNV-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.06
Rot. Bonds3

About 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol

1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol (PubChem CID 88773805) has the molecular formula C8H16NO3- and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol
PubChem CID88773805
Molecular FormulaC8H16NO3-
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Name1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol
SMILESCC(O)C1CN([O-])C1(C)CCO
InChIInChI=1S/C8H16NO3/c1-6(11)7-5-9(12)8(7,2)3-4-10/h6-7,10-11H,3-5H2,1-2H3/q-1
InChIKeyBAUPYZJHTMXCNV-UHFFFAOYSA-N
XLogP-0.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxyethyl)-1,4-dimethylpiperidin-4-ol
CID 130123561
1-(3-ethoxy-2,2-dimethylcyclobutyl)ethanol
CID 130713079
2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol
CID 57052916
(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
CID 66898256
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
(1R)-1-[(2R)-spiro[2.2]pentan-2-yl]ethanol
CID 131155650
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
CID 131123429
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
CID 130708552
2-(1-amino-3-propan-2-ylcyclobutyl)ethanol
CID 103565314
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol?
The IUPAC name of 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol (CID 88773805) is 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol?
The canonical SMILES for 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol is CC(O)C1CN([O-])C1(C)CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol?
The InChIKey is BAUPYZJHTMXCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3/c1-6(11)7-5-9(12)8(7,2)3-4-10/h6-7,10-11H,3-5H2,1-2H3/q-1.
What are the key properties of 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol?
1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol has a molecular weight of 174.22 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol is sourced from PubChem (CID 88773805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).