2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid

C7H13NO4 — CID 81061794

IUPAC2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
SMILESCCOCCN(C)C(=O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-12-5-4-8(2)6(9)7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyHYGXMYDJRHSMMB-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.43
Rot. Bonds4

About 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid

2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid (PubChem CID 81061794) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
PubChem CID81061794
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
SMILESCCOCCN(C)C(=O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-12-5-4-8(2)6(9)7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyHYGXMYDJRHSMMB-UHFFFAOYSA-N
XLogP-0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
CID 81053733
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
N-(2-ethoxyethyl)-2-hydroxy-N,N',N'-trimethylbut-2-enediamide;bis(2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide);iron
CID 148721705
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
4-[bis(2-ethoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82965179
2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 81058123
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid (CID 81061794) is 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid is CCOCCN(C)C(=O)C(=O)O.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid?
The InChIKey is HYGXMYDJRHSMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-12-5-4-8(2)6(9)7(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid?
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid has a molecular weight of 175.18 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 81061794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).