4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid

C15H14N2O3 — CID 142079900

IUPAC4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
SMILESCOc1ccc(/C(N)=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-20-13-8-4-10(5-9-13)14(16)17-12-6-2-11(3-7-12)15(18)19/h2-9H,1H3,(H2,16,17)(H,18,19)
InChIKeyUXTVMWUSMFHZRK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds4

About 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid

4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid (PubChem CID 142079900) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid.

Molecular Properties

Compound Name4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
PubChem CID142079900
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
SMILESCOc1ccc(/C(N)=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-20-13-8-4-10(5-9-13)14(16)17-12-6-2-11(3-7-12)15(18)19/h2-9H,1H3,(H2,16,17)(H,18,19)
InChIKeyUXTVMWUSMFHZRK-UHFFFAOYSA-N
XLogP2.43
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
CID 16732361
CID 16732361
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
ethyl acetate;4-methoxybenzoic acid
CID 158342660
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
CID 82480855

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid?
The IUPAC name of 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid (CID 142079900) is 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid.
What is the SMILES notation for 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid?
The canonical SMILES for 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid is COc1ccc(/C(N)=N/c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid?
The InChIKey is UXTVMWUSMFHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-13-8-4-10(5-9-13)14(16)17-12-6-2-11(3-7-12)15(18)19/h2-9H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid?
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid is sourced from PubChem (CID 142079900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).