3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid

C10H13FN2O2 — CID 175168590

IUPAC3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid
SMILESCNNC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-12-13-9(6-10(14)15)7-2-4-8(11)5-3-7/h2-5,9,12-13H,6H2,1H3,(H,14,15)
InChIKeyIYBKTHOPNNQVAE-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.07
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid

3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid (PubChem CID 175168590) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid
PubChem CID175168590
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid
SMILESCNNC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-12-13-9(6-10(14)15)7-2-4-8(11)5-3-7/h2-5,9,12-13H,6H2,1H3,(H,14,15)
InChIKeyIYBKTHOPNNQVAE-UHFFFAOYSA-N
XLogP1.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid (CID 175168590) is 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid is CNNC(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid?
The InChIKey is IYBKTHOPNNQVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-12-13-9(6-10(14)15)7-2-4-8(11)5-3-7/h2-5,9,12-13H,6H2,1H3,(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid?
3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(2-methylhydrazinyl)propanoic acid is sourced from PubChem (CID 175168590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).