2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid

C11H12ClNO3 — CID 3080856

IUPAC2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid
SMILESCC(C)(ON=Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H12ClNO3/c1-11(2,10(14)15)16-13-7-8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,14,15)
InChIKeyWNAGGPRMCVWVNV-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.55
Rot. Bonds4

About 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid

2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid (PubChem CID 3080856) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid
PubChem CID3080856
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid
SMILESCC(C)(ON=Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H12ClNO3/c1-11(2,10(14)15)16-13-7-8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,14,15)
InChIKeyWNAGGPRMCVWVNV-UHFFFAOYSA-N
XLogP2.55
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
CID 131878857
CID 131878857
(E)-1-(4-chlorophenyl)-4-hydroxy-4-methylpent-1-en-3-one
CID 794751
(2Z)-2-[(4-chlorophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 115042918
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
CID 98061190
(E)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
CID 5384034
(Z)-1-(4-chlorophenyl)-N-phenoxymethanimine
CID 5368892
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
4-(4-chlorophenyl)-2,2-difluorobut-3-enoic acid
CID 175182580
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid (CID 3080856) is 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid is CC(C)(ON=Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid?
The InChIKey is WNAGGPRMCVWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-11(2,10(14)15)16-13-7-8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid?
2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 3080856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).