azanium 2-[(2-aminoacetyl)amino]acetate

C4H11N3O3 — CID 172849097

IUPACazanium 2-[(2-aminoacetyl)amino]acetate
SMILESNCC(=O)NCC(=O)[O-].[NH4+]
InChIInChI=1S/C4H8N2O3.H3N/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H3
InChIKeyXVBSBOVEHVGAAX-UHFFFAOYSA-N
MW149.15 g/mol
LogP-2.81
Rot. Bonds3

About azanium 2-[(2-aminoacetyl)amino]acetate

azanium 2-[(2-aminoacetyl)amino]acetate (PubChem CID 172849097) has the molecular formula C4H11N3O3 and a molecular weight of 149.15 g/mol. Its IUPAC name is azanium 2-[(2-aminoacetyl)amino]acetate.

Molecular Properties

Compound Nameazanium 2-[(2-aminoacetyl)amino]acetate
PubChem CID172849097
Molecular FormulaC4H11N3O3
Molecular Weight149.15 g/mol
Exact Mass149.08
IUPAC Nameazanium 2-[(2-aminoacetyl)amino]acetate
SMILESNCC(=O)NCC(=O)[O-].[NH4+]
InChIInChI=1S/C4H8N2O3.H3N/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H3
InChIKeyXVBSBOVEHVGAAX-UHFFFAOYSA-N
XLogP-2.81
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-[[2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 139198513
2-amino-N-(2-oxobut-3-enyl)acetamide
CID 142697377
2-[[2-(methylazaniumyl)acetyl]amino]acetate
CID 7021858
zinc bis(2-(butanoylamino)acetate)
CID 157281731
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 66569055
2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
oxygen(2-);2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;technetium-99
CID 76963456
2-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]acetamide
CID 83111303
2-amino-N-(5-amino-2-oxopentyl)acetamide
CID 141063651

Frequently Asked Questions

What is the IUPAC name of azanium 2-[(2-aminoacetyl)amino]acetate?
The IUPAC name of azanium 2-[(2-aminoacetyl)amino]acetate (CID 172849097) is azanium 2-[(2-aminoacetyl)amino]acetate.
What is the SMILES notation for azanium 2-[(2-aminoacetyl)amino]acetate?
The canonical SMILES for azanium 2-[(2-aminoacetyl)amino]acetate is NCC(=O)NCC(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-[(2-aminoacetyl)amino]acetate?
The InChIKey is XVBSBOVEHVGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.H3N/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H3.
What are the key properties of azanium 2-[(2-aminoacetyl)amino]acetate?
azanium 2-[(2-aminoacetyl)amino]acetate has a molecular weight of 149.15 g/mol, XLogP of -2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-[(2-aminoacetyl)amino]acetate is sourced from PubChem (CID 172849097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).