2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate

C9H18N2O3 — CID 39257974

IUPAC2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate
SMILESCCCC[NH+](C)CC(=O)NCC(=O)[O-]
InChIInChI=1S/C9H18N2O3/c1-3-4-5-11(2)7-8(12)10-6-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyFELSTQNRMIGTIM-UHFFFAOYSA-N
MW202.25 g/mol
LogP-2.83
Rot. Bonds7

About 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate

2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate (PubChem CID 39257974) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate
PubChem CID39257974
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate
SMILESCCCC[NH+](C)CC(=O)NCC(=O)[O-]
InChIInChI=1S/C9H18N2O3/c1-3-4-5-11(2)7-8(12)10-6-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyFELSTQNRMIGTIM-UHFFFAOYSA-N
XLogP-2.83
TPSA73.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141447181
copper bis(2-(octanoylamino)acetate)
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CID 23716190
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
5-[butyl(methyl)azaniumyl]pentanoate
CID 28972345
didecyl(methyl)azanium acetate
CID 122696251
zinc bis(2-(butanoylamino)acetate)
CID 157281731
2-[[4-[2-(diethylazaniumyl)ethylamino]-4-oxobutanoyl]amino]acetate
CID 39290164
ethyl-methyl-tetradecylazanium;octadecanoate
CID 134501498
4-[[butyl(methyl)azaniumyl]methyl]benzoate
CID 42180573
2-[[2-(methylazaniumyl)acetyl]amino]acetate
CID 7021858
diethyl(methyl)azanium;pentanoate
CID 87523267

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate?
The IUPAC name of 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate (CID 39257974) is 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate?
The canonical SMILES for 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate is CCCC[NH+](C)CC(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate?
The InChIKey is FELSTQNRMIGTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-4-5-11(2)7-8(12)10-6-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate?
2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate has a molecular weight of 202.25 g/mol, XLogP of -2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate is sourced from PubChem (CID 39257974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).