2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid

C11H12N2O4 — CID 77013496

IUPAC2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
SMILESCC(=O)Nc1ccc(C=NOCC(=O)O)cc1
InChIInChI=1S/C11H12N2O4/c1-8(14)13-10-4-2-9(3-5-10)6-12-17-7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyLFVUUYQNZVIXEO-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.08
Rot. Bonds5

About 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid

2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid (PubChem CID 77013496) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
PubChem CID77013496
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
SMILESCC(=O)Nc1ccc(C=NOCC(=O)O)cc1
InChIInChI=1S/C11H12N2O4/c1-8(14)13-10-4-2-9(3-5-10)6-12-17-7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyLFVUUYQNZVIXEO-UHFFFAOYSA-N
XLogP1.08
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925672
2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
CID 104823667
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
CID 77013169
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
methyl 4-[(E)-[2-(4-ethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 42967708
methyl 4-[(E)-[2-(4-iodoanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 6909542
N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid (CID 77013496) is 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid is CC(=O)Nc1ccc(C=NOCC(=O)O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid?
The InChIKey is LFVUUYQNZVIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-8(14)13-10-4-2-9(3-5-10)6-12-17-7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid?
2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid has a molecular weight of 236.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 77013496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).