2-(3-aminoazetidin-1-yl)ethanol

C5H12N2O — CID 63760721

IUPAC2-(3-aminoazetidin-1-yl)ethanol
SMILESNC1CN(CCO)C1
InChIInChI=1S/C5H12N2O/c6-5-3-7(4-5)1-2-8/h5,8H,1-4,6H2
InChIKeyMDUHOZNYHXXUPS-UHFFFAOYSA-N
MW116.16 g/mol
LogP-1.38
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)ethanol

2-(3-aminoazetidin-1-yl)ethanol (PubChem CID 63760721) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)ethanol
PubChem CID63760721
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-(3-aminoazetidin-1-yl)ethanol
SMILESNC1CN(CCO)C1
InChIInChI=1S/C5H12N2O/c6-5-3-7(4-5)1-2-8/h5,8H,1-4,6H2
InChIKeyMDUHOZNYHXXUPS-UHFFFAOYSA-N
XLogP-1.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)ethanol?
The IUPAC name of 2-(3-aminoazetidin-1-yl)ethanol (CID 63760721) is 2-(3-aminoazetidin-1-yl)ethanol.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)ethanol?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)ethanol is NC1CN(CCO)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)ethanol?
The InChIKey is MDUHOZNYHXXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-5-3-7(4-5)1-2-8/h5,8H,1-4,6H2.
What are the key properties of 2-(3-aminoazetidin-1-yl)ethanol?
2-(3-aminoazetidin-1-yl)ethanol has a molecular weight of 116.16 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)ethanol is sourced from PubChem (CID 63760721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).