2-[(4-fluorophenyl)methylideneamino]propanoic acid

C10H10FNO2 — CID 90895765

IUPAC2-[(4-fluorophenyl)methylideneamino]propanoic acid
SMILESCC(/N=C/c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H10FNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-7H,1H3,(H,13,14)/b12-6+
InChIKeyVXCXPIRTTBZSGN-WUXMJOGZSA-N
MW195.19 g/mol
LogP1.72
Rot. Bonds3

About 2-[(4-fluorophenyl)methylideneamino]propanoic acid

2-[(4-fluorophenyl)methylideneamino]propanoic acid (PubChem CID 90895765) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]propanoic acid
PubChem CID90895765
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-[(4-fluorophenyl)methylideneamino]propanoic acid
SMILESCC(/N=C/c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H10FNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-7H,1H3,(H,13,14)/b12-6+
InChIKeyVXCXPIRTTBZSGN-WUXMJOGZSA-N
XLogP1.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methylideneamino]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 2-[(4-fluorophenyl)methylideneamino]propanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]propanoic acid (CID 90895765) is 2-[(4-fluorophenyl)methylideneamino]propanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]propanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]propanoic acid is CC(/N=C/c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]propanoic acid?
The InChIKey is VXCXPIRTTBZSGN-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-7H,1H3,(H,13,14)/b12-6+.
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]propanoic acid?
2-[(4-fluorophenyl)methylideneamino]propanoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylideneamino]propanoic acid is sourced from PubChem (CID 90895765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).