2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate

C10H14N2O2 — CID 29052902

IUPAC2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate
SMILESC[NH+](CCc1ccccn1)CC(=O)[O-]
InChIInChI=1S/C10H14N2O2/c1-12(8-10(13)14)7-5-9-4-2-3-6-11-9/h2-4,6H,5,7-8H2,1H3,(H,13,14)
InChIKeyGYTYIIJPYZNFQB-UHFFFAOYSA-N
MW194.23 g/mol
LogP-2.11
Rot. Bonds5

About 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate

2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate (PubChem CID 29052902) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate
PubChem CID29052902
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate
SMILESC[NH+](CCc1ccccn1)CC(=O)[O-]
InChIInChI=1S/C10H14N2O2/c1-12(8-10(13)14)7-5-9-4-2-3-6-11-9/h2-4,6H,5,7-8H2,1H3,(H,13,14)
InChIKeyGYTYIIJPYZNFQB-UHFFFAOYSA-N
XLogP-2.11
TPSA57.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-2.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-pyridin-2-ylhexanoate
CID 7109691
(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 4582205
(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 5220542
methyl-(2-phenylethyl)-(pyridin-2-ylmethyl)azanium
CID 6938055
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 4741246
acetic acid;2-ethylpyridine
CID 70072313
ethane;2-ethylpyridine;propan-2-one
CID 91062133

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate?
The IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate (CID 29052902) is 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate?
The canonical SMILES for 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate is C[NH+](CCc1ccccn1)CC(=O)[O-].
What is the InChIKey of 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate?
The InChIKey is GYTYIIJPYZNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(8-10(13)14)7-5-9-4-2-3-6-11-9/h2-4,6H,5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate?
2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate has a molecular weight of 194.23 g/mol, XLogP of -2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate is sourced from PubChem (CID 29052902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).