2-[(2-azaniumylacetyl)-methylamino]acetate

C5H10N2O3 — CID 6995175

IUPAC2-[(2-azaniumylacetyl)-methylamino]acetate
SMILESCN(CC(=O)[O-])C(=O)C[NH3+]
InChIInChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
InChIKeyVYAMLSCELQQRAE-UHFFFAOYSA-N
MW146.15 g/mol
LogP-3.56
Rot. Bonds3

About 2-[(2-azaniumylacetyl)-methylamino]acetate

2-[(2-azaniumylacetyl)-methylamino]acetate (PubChem CID 6995175) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-[(2-azaniumylacetyl)-methylamino]acetate.

Molecular Properties

Compound Name2-[(2-azaniumylacetyl)-methylamino]acetate
PubChem CID6995175
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-[(2-azaniumylacetyl)-methylamino]acetate
SMILESCN(CC(=O)[O-])C(=O)C[NH3+]
InChIInChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
InChIKeyVYAMLSCELQQRAE-UHFFFAOYSA-N
XLogP-3.56
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-3.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium bis(2-[methyl(tetradecanoyl)amino]acetate)
CID 168911681
sodium 2-(dimethylamino)acetate
CID 23695761
sodium 2-[methyl(sulfidocarbothioyl)amino]acetate
CID 102587922
sodium 2-[4-fluorohexanoyl(methyl)amino]acetate
CID 101279683
sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190
lithium 2-[methyl(oct-7-enoyl)amino]acetate
CID 102117359
sodium 2-[methyl-[(E)-oct-3-enoyl]amino]acetate
CID 102117313
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
chromium(3+);tris(2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate)
CID 173332021
bis(2-azaniumylacetate);hydroxyazanium;chloride
CID 139206260
disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate
CID 172550095
tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112

Frequently Asked Questions

What is the IUPAC name of 2-[(2-azaniumylacetyl)-methylamino]acetate?
The IUPAC name of 2-[(2-azaniumylacetyl)-methylamino]acetate (CID 6995175) is 2-[(2-azaniumylacetyl)-methylamino]acetate.
What is the SMILES notation for 2-[(2-azaniumylacetyl)-methylamino]acetate?
The canonical SMILES for 2-[(2-azaniumylacetyl)-methylamino]acetate is CN(CC(=O)[O-])C(=O)C[NH3+].
What is the InChIKey of 2-[(2-azaniumylacetyl)-methylamino]acetate?
The InChIKey is VYAMLSCELQQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10).
What are the key properties of 2-[(2-azaniumylacetyl)-methylamino]acetate?
2-[(2-azaniumylacetyl)-methylamino]acetate has a molecular weight of 146.15 g/mol, XLogP of -3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azaniumylacetyl)-methylamino]acetate is sourced from PubChem (CID 6995175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).