(2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid

C10H11NO4 — CID 6399860

IUPAC(2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C/C(=N/O)C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
InChIKeyIQZHUSREBYJGPY-LUAWRHEFSA-N
MW209.20 g/mol
LogP1.15
Rot. Bonds4

About (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid

(2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid (PubChem CID 6399860) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid
PubChem CID6399860
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C/C(=N/O)C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
InChIKeyIQZHUSREBYJGPY-LUAWRHEFSA-N
XLogP1.15
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid (CID 6399860) is (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C/C(=N/O)C(=O)O)cc1.
What is the InChIKey of (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is IQZHUSREBYJGPY-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-.
What are the key properties of (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid?
(2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 6399860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).