4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid

C11H13N3O3 — CID 143385305

IUPAC4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid
SMILESN/C(CCC(=O)O)=N/C=N/c1ccc(O)cc1
InChIInChI=1S/C11H13N3O3/c12-10(5-6-11(16)17)14-7-13-8-1-3-9(15)4-2-8/h1-4,7,15H,5-6H2,(H,16,17)(H2,12,13,14)
InChIKeyZHVYIAOCPVGYLC-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.27
Rot. Bonds5

About 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid

4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid (PubChem CID 143385305) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid
PubChem CID143385305
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid
SMILESN/C(CCC(=O)O)=N/C=N/c1ccc(O)cc1
InChIInChI=1S/C11H13N3O3/c12-10(5-6-11(16)17)14-7-13-8-1-3-9(15)4-2-8/h1-4,7,15H,5-6H2,(H,16,17)(H2,12,13,14)
InChIKeyZHVYIAOCPVGYLC-UHFFFAOYSA-N
XLogP1.27
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.27
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid?
The IUPAC name of 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid (CID 143385305) is 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid.
What is the SMILES notation for 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid?
The canonical SMILES for 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid is N/C(CCC(=O)O)=N/C=N/c1ccc(O)cc1.
What is the InChIKey of 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid?
The InChIKey is ZHVYIAOCPVGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-10(5-6-11(16)17)14-7-13-8-1-3-9(15)4-2-8/h1-4,7,15H,5-6H2,(H,16,17)(H2,12,13,14).
What are the key properties of 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid?
4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[(4-hydroxyphenyl)iminomethylimino]butanoic acid is sourced from PubChem (CID 143385305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).