2-(dimethylazaniumyl)acetate

C4H9NO2 — CID 6971056

IUPAC2-(dimethylazaniumyl)acetate
SMILESC[NH+](C)CC(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyFFDGPVCHZBVARC-UHFFFAOYSA-N
MW103.12 g/mol
LogP-3.12
Rot. Bonds2

About 2-(dimethylazaniumyl)acetate

2-(dimethylazaniumyl)acetate (PubChem CID 6971056) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-(dimethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(dimethylazaniumyl)acetate
PubChem CID6971056
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-(dimethylazaniumyl)acetate
SMILESC[NH+](C)CC(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyFFDGPVCHZBVARC-UHFFFAOYSA-N
XLogP-3.12
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylazaniumyl)acetate?
The IUPAC name of 2-(dimethylazaniumyl)acetate (CID 6971056) is 2-(dimethylazaniumyl)acetate.
What is the SMILES notation for 2-(dimethylazaniumyl)acetate?
The canonical SMILES for 2-(dimethylazaniumyl)acetate is C[NH+](C)CC(=O)[O-].
What is the InChIKey of 2-(dimethylazaniumyl)acetate?
The InChIKey is FFDGPVCHZBVARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7).
What are the key properties of 2-(dimethylazaniumyl)acetate?
2-(dimethylazaniumyl)acetate has a molecular weight of 103.12 g/mol, XLogP of -3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylazaniumyl)acetate is sourced from PubChem (CID 6971056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).