2-(methylazaniumyl)acetate

C3H7NO2 — CID 7311726

IUPAC2-(methylazaniumyl)acetate
SMILESC[NH2+]CC(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFSYKKLYZXJSNPZ-UHFFFAOYSA-N
MW89.09 g/mol
LogP-3.07
Rot. Bonds2

About 2-(methylazaniumyl)acetate

2-(methylazaniumyl)acetate (PubChem CID 7311726) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 2-(methylazaniumyl)acetate.

Molecular Properties

Compound Name2-(methylazaniumyl)acetate
PubChem CID7311726
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name2-(methylazaniumyl)acetate
SMILESC[NH2+]CC(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFSYKKLYZXJSNPZ-UHFFFAOYSA-N
XLogP-3.07
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylazaniumyl)acetate?
The IUPAC name of 2-(methylazaniumyl)acetate (CID 7311726) is 2-(methylazaniumyl)acetate.
What is the SMILES notation for 2-(methylazaniumyl)acetate?
The canonical SMILES for 2-(methylazaniumyl)acetate is C[NH2+]CC(=O)[O-].
What is the InChIKey of 2-(methylazaniumyl)acetate?
The InChIKey is FSYKKLYZXJSNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methylazaniumyl)acetate?
2-(methylazaniumyl)acetate has a molecular weight of 89.09 g/mol, XLogP of -3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylazaniumyl)acetate is sourced from PubChem (CID 7311726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).