[(2-methoxy-2-oxoacetyl)amino] benzoate

C10H9NO5 — CID 152508358

IUPAC[(2-methoxy-2-oxoacetyl)amino] benzoate
SMILESCOC(=O)C(=O)NOC(=O)c1ccccc1
InChIInChI=1S/C10H9NO5/c1-15-10(14)8(12)11-16-9(13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)
InChIKeyYEYKUEKQDSJVNL-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.05
Rot. Bonds1

About [(2-methoxy-2-oxoacetyl)amino] benzoate

[(2-methoxy-2-oxoacetyl)amino] benzoate (PubChem CID 152508358) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is [(2-methoxy-2-oxoacetyl)amino] benzoate.

Molecular Properties

Compound Name[(2-methoxy-2-oxoacetyl)amino] benzoate
PubChem CID152508358
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name[(2-methoxy-2-oxoacetyl)amino] benzoate
SMILESCOC(=O)C(=O)NOC(=O)c1ccccc1
InChIInChI=1S/C10H9NO5/c1-15-10(14)8(12)11-16-9(13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)
InChIKeyYEYKUEKQDSJVNL-UHFFFAOYSA-N
XLogP0.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate
CID 123280747
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
ethane;methoxymethane;methyl benzoate
CID 90999424
(1-ethoxyethenylamino) benzoate
CID 123459166
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
methyl benzoate azide
CID 161139797
CID 172688243
CID 172688243
[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate
CID 569419
benzoyl benzoate;methylperoxymethane
CID 88758305
bromobenzene;methyl benzoate
CID 175243928

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-2-oxoacetyl)amino] benzoate?
The IUPAC name of [(2-methoxy-2-oxoacetyl)amino] benzoate (CID 152508358) is [(2-methoxy-2-oxoacetyl)amino] benzoate.
What is the SMILES notation for [(2-methoxy-2-oxoacetyl)amino] benzoate?
The canonical SMILES for [(2-methoxy-2-oxoacetyl)amino] benzoate is COC(=O)C(=O)NOC(=O)c1ccccc1.
What is the InChIKey of [(2-methoxy-2-oxoacetyl)amino] benzoate?
The InChIKey is YEYKUEKQDSJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-15-10(14)8(12)11-16-9(13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12).
What are the key properties of [(2-methoxy-2-oxoacetyl)amino] benzoate?
[(2-methoxy-2-oxoacetyl)amino] benzoate has a molecular weight of 223.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-2-oxoacetyl)amino] benzoate is sourced from PubChem (CID 152508358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).