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

C10H11NO3 — CID 127047493

IUPAC(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C/C(=N/O)C(=O)O)c1
InChIInChI=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-
InChIKeyGQPFSZFZJBSHEM-LUAWRHEFSA-N
MW193.20 g/mol
LogP1.45
Rot. Bonds3

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 CID127047493
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C/C(=N/O)C(=O)O)c1
InChIInChI=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-
InChIKeyGQPFSZFZJBSHEM-LUAWRHEFSA-N
XLogP1.45
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze (2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).