3-amino-4-methylazetidin-2-one

C4H8N2O — CID 13155286

IUPAC3-amino-4-methylazetidin-2-one
SMILESCC1NC(=O)C1N
InChIInChI=1S/C4H8N2O/c1-2-3(5)4(7)6-2/h2-3H,5H2,1H3,(H,6,7)
InChIKeyHEKIBZBEXRTFRP-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.17
Rot. Bonds

About 3-amino-4-methylazetidin-2-one

3-amino-4-methylazetidin-2-one (PubChem CID 13155286) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-amino-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-amino-4-methylazetidin-2-one
PubChem CID13155286
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-amino-4-methylazetidin-2-one
SMILESCC1NC(=O)C1N
InChIInChI=1S/C4H8N2O/c1-2-3(5)4(7)6-2/h2-3H,5H2,1H3,(H,6,7)
InChIKeyHEKIBZBEXRTFRP-UHFFFAOYSA-N
XLogP-1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylazetidin-2-one?
The IUPAC name of 3-amino-4-methylazetidin-2-one (CID 13155286) is 3-amino-4-methylazetidin-2-one.
What is the SMILES notation for 3-amino-4-methylazetidin-2-one?
The canonical SMILES for 3-amino-4-methylazetidin-2-one is CC1NC(=O)C1N.
What is the InChIKey of 3-amino-4-methylazetidin-2-one?
The InChIKey is HEKIBZBEXRTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3(5)4(7)6-2/h2-3H,5H2,1H3,(H,6,7).
What are the key properties of 3-amino-4-methylazetidin-2-one?
3-amino-4-methylazetidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylazetidin-2-one is sourced from PubChem (CID 13155286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).