2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid

C6H9NO5 — CID 45482712

IUPAC2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid
SMILESCCOC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C6H9NO5/c1-2-12-6(11)5(10)7-3-4(8)9/h2-3H2,1H3,(H,7,10)(H,8,9)
InChIKeyJFZAGAHFAQWGJR-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.25
Rot. Bonds3

About 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid

2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid (PubChem CID 45482712) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid
PubChem CID45482712
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid
SMILESCCOC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C6H9NO5/c1-2-12-6(11)5(10)7-3-4(8)9/h2-3H2,1H3,(H,7,10)(H,8,9)
InChIKeyJFZAGAHFAQWGJR-UHFFFAOYSA-N
XLogP-1.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyloxalylglycine
CID 560326
Ethyl acetamidoacetate
CID 74702
N-Ethoxyacetylglycine
CID 134082
Ethyl 2-(methylamino)-2-oxoacetate
CID 3413434
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
Oxamic Acid/Ester, 25
CID 16112059
2-(2-Methoxy-2-oxoacetamido)acetic acid
CID 14991438
2-(2-Methoxy-2-oxoethylamino)-2-oxoacetic acid
CID 45482778
2-(2-Acetamidoethoxy)acetic acid
CID 57148941
2-(2-Acetamidoacetyl)oxyacetic acid
CID 71459723
Methyl 2-[[2-(1-acetyloxyethoxy)-2-oxoethyl]amino]-2-oxoacetate
CID 178294104
Methyl 2-oxo-2-[(2-oxo-2-propan-2-yloxyethyl)amino]acetate
CID 178322206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid (CID 45482712) is 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid is CCOC(=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid?
The InChIKey is JFZAGAHFAQWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-2-12-6(11)5(10)7-3-4(8)9/h2-3H2,1H3,(H,7,10)(H,8,9).
What are the key properties of 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid?
2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid has a molecular weight of 175.14 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoacetyl)amino]acetic acid is sourced from PubChem (CID 45482712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).