3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid

C10H11NO4 — CID 155289227

IUPAC3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
SMILESO=C(O)CCO/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+
InChIKeyRWWIOUDUCKNDSJ-YRNVUSSQSA-N
MW209.20 g/mol
LogP1.22
Rot. Bonds5

About 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid

3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid (PubChem CID 155289227) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid.

Molecular Properties

Compound Name3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
PubChem CID155289227
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
SMILESO=C(O)CCO/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+
InChIKeyRWWIOUDUCKNDSJ-YRNVUSSQSA-N
XLogP1.22
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid?
The IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid (CID 155289227) is 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid.
What is the SMILES notation for 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid?
The canonical SMILES for 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid is O=C(O)CCO/N=C/c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid?
The InChIKey is RWWIOUDUCKNDSJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+.
What are the key properties of 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid?
3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid is sourced from PubChem (CID 155289227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).