2-methyl-2-(methylazaniumyl)propanoate

C5H11NO2 — CID 6951124

IUPAC2-methyl-2-(methylazaniumyl)propanoate
SMILESC[NH2+]C(C)(C)C(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
InChIKeyDLAMVQGYEVKIRE-UHFFFAOYSA-N
MW117.15 g/mol
LogP-2.29
Rot. Bonds2

About 2-methyl-2-(methylazaniumyl)propanoate

2-methyl-2-(methylazaniumyl)propanoate (PubChem CID 6951124) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-methyl-2-(methylazaniumyl)propanoate.

Molecular Properties

Compound Name2-methyl-2-(methylazaniumyl)propanoate
PubChem CID6951124
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-methyl-2-(methylazaniumyl)propanoate
SMILESC[NH2+]C(C)(C)C(=O)[O-]
InChIInChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
InChIKeyDLAMVQGYEVKIRE-UHFFFAOYSA-N
XLogP-2.29
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylazaniumyl)propanoate?
The IUPAC name of 2-methyl-2-(methylazaniumyl)propanoate (CID 6951124) is 2-methyl-2-(methylazaniumyl)propanoate.
What is the SMILES notation for 2-methyl-2-(methylazaniumyl)propanoate?
The canonical SMILES for 2-methyl-2-(methylazaniumyl)propanoate is C[NH2+]C(C)(C)C(=O)[O-].
What is the InChIKey of 2-methyl-2-(methylazaniumyl)propanoate?
The InChIKey is DLAMVQGYEVKIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8).
What are the key properties of 2-methyl-2-(methylazaniumyl)propanoate?
2-methyl-2-(methylazaniumyl)propanoate has a molecular weight of 117.15 g/mol, XLogP of -2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylazaniumyl)propanoate is sourced from PubChem (CID 6951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).