2-amino-1-(2-methylazetidin-1-yl)ethanone

C6H12N2O — CID 67101715

IUPAC2-amino-1-(2-methylazetidin-1-yl)ethanone
SMILESCC1CCN1C(=O)CN
InChIInChI=1S/C6H12N2O/c1-5-2-3-8(5)6(9)4-7/h5H,2-4,7H2,1H3
InChIKeyQBUKNBBXOXHZSV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.43
Rot. Bonds1

About 2-amino-1-(2-methylazetidin-1-yl)ethanone

2-amino-1-(2-methylazetidin-1-yl)ethanone (PubChem CID 67101715) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-amino-1-(2-methylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-methylazetidin-1-yl)ethanone
PubChem CID67101715
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-amino-1-(2-methylazetidin-1-yl)ethanone
SMILESCC1CCN1C(=O)CN
InChIInChI=1S/C6H12N2O/c1-5-2-3-8(5)6(9)4-7/h5H,2-4,7H2,1H3
InChIKeyQBUKNBBXOXHZSV-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylazetidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(2-methylazetidin-1-yl)ethanone (CID 67101715) is 2-amino-1-(2-methylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-methylazetidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-methylazetidin-1-yl)ethanone is CC1CCN1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-methylazetidin-1-yl)ethanone?
The InChIKey is QBUKNBBXOXHZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-2-3-8(5)6(9)4-7/h5H,2-4,7H2,1H3.
What are the key properties of 2-amino-1-(2-methylazetidin-1-yl)ethanone?
2-amino-1-(2-methylazetidin-1-yl)ethanone has a molecular weight of 128.17 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylazetidin-1-yl)ethanone is sourced from PubChem (CID 67101715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).