2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate

C6H9N2O5- — CID 7018168

IUPAC2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate
SMILESNC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)/p-1
InChIKeyQZTKDVCDBIDYMD-UHFFFAOYSA-M
MW189.15 g/mol
LogP-6.14
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate

2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate (PubChem CID 7018168) has the molecular formula C6H9N2O5- and a molecular weight of 189.15 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate
PubChem CID7018168
Molecular FormulaC6H9N2O5-
Molecular Weight189.15 g/mol
Exact Mass189.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate
SMILESNC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)/p-1
InChIKeyQZTKDVCDBIDYMD-UHFFFAOYSA-M
XLogP-6.14
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 5-6.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimagnesium;2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate
CID 154706747
tris(carboxymethyl)azanium acetate
CID 90094500
(2-amino-2-oxoethyl)-dimethylazanium
CID 20702381
7-[bis(carboxylatomethyl)azaniumyl]heptanoate
CID 7367261
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate
CID 25201827
bis(amino(diaminomethylidene)azanium);butanedioate
CID 166542017
2-amino-2,2-dideuterioacetate
CID 59915671
2-[diaminomethyl(methyl)azaniumyl]acetate
CID 163179412
amino(diaminomethylidene)azanium acetate
CID 23463354
disodium;guanidine;diacetate
CID 172858856
disodium bis(8-amino-8-oxooctanoate)
CID 158637800
nickel(2+) dicarbamate
CID 87136196

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate (CID 7018168) is 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate is NC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-].
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate?
The InChIKey is QZTKDVCDBIDYMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)/p-1.
What are the key properties of 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate?
2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate has a molecular weight of 189.15 g/mol, XLogP of -6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate is sourced from PubChem (CID 7018168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).