(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid

C₁₀H₁₁NO₃ — CID 127047493

About (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid

(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid (PubChem CID 127047493) has the molecular formula C₁₀H₁₁NO₃ and a molecular weight of 193.20 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid.

Molecular Properties

• Compound Name: (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid
• PubChem CID: 127047493
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.07
• IUPAC Name: (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid
• SMILES: Cc1cccc(C/C(=N/O)C(=O)O)c1
• InChI: InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
• InChIKey: GQPFSZFZJBSHEM-LUAWRHEFSA-N
• XLogP: 1.45
• TPSA: 69.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.20
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid?

The IUPAC name of (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid (CID 127047493) is (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid.

What is the SMILES notation for (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid?

The canonical SMILES for (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid is Cc1cccc(C/C(=N/O)C(=O)O)c1.

What is the InChIKey of (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid?

The InChIKey is GQPFSZFZJBSHEM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)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-(3-methylphenyl)propanoic acid?

(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 127047493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 127047493 — identifiers, structure, computed properties (public domain)

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