2-[[2-(methylazaniumyl)acetyl]amino]acetate

C5H10N2O3 — CID 7021858

IUPAC2-[[2-(methylazaniumyl)acetyl]amino]acetate
SMILESC[NH2+]CC(=O)NCC(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-6-2-4(8)7-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXBSXVUHHZXULRO-UHFFFAOYSA-N
MW146.15 g/mol
LogP-3.95
Rot. Bonds4

About 2-[[2-(methylazaniumyl)acetyl]amino]acetate

2-[[2-(methylazaniumyl)acetyl]amino]acetate (PubChem CID 7021858) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-[[2-(methylazaniumyl)acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-(methylazaniumyl)acetyl]amino]acetate
PubChem CID7021858
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-[[2-(methylazaniumyl)acetyl]amino]acetate
SMILESC[NH2+]CC(=O)NCC(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-6-2-4(8)7-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXBSXVUHHZXULRO-UHFFFAOYSA-N
XLogP-3.95
TPSA85.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-3.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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azanium 2-[(2-aminoacetyl)amino]acetate
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2-acetamidoacetate;chromium(3+)
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2-[[2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetyl]amino]acetate
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copper bis(2-(octanoylamino)acetate)
CID 88618270
sodium 2-(decanoylamino)acetate
CID 23716190
disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
oxygen(2-);2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;technetium-99
CID 76963456
sodium 2-(carboxyamino)acetate
CID 58758121
2-[[4-[2-(diethylazaniumyl)ethylamino]-4-oxobutanoyl]amino]acetate
CID 39290164

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylazaniumyl)acetyl]amino]acetate?
The IUPAC name of 2-[[2-(methylazaniumyl)acetyl]amino]acetate (CID 7021858) is 2-[[2-(methylazaniumyl)acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-(methylazaniumyl)acetyl]amino]acetate?
The canonical SMILES for 2-[[2-(methylazaniumyl)acetyl]amino]acetate is C[NH2+]CC(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[2-(methylazaniumyl)acetyl]amino]acetate?
The InChIKey is XBSXVUHHZXULRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-6-2-4(8)7-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[[2-(methylazaniumyl)acetyl]amino]acetate?
2-[[2-(methylazaniumyl)acetyl]amino]acetate has a molecular weight of 146.15 g/mol, XLogP of -3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylazaniumyl)acetyl]amino]acetate is sourced from PubChem (CID 7021858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).