3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid

C10H13FN2O3 — CID 166652474

IUPAC3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
SMILESCC(NN)(C(=O)O)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O3/c1-10(13-12,9(15)16)8(14)6-2-4-7(11)5-3-6/h2-5,8,13-14H,12H2,1H3,(H,15,16)
InChIKeyFRGJMBVVJGPHFA-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.17
Rot. Bonds4

About 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid

3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid (PubChem CID 166652474) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
PubChem CID166652474
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
SMILESCC(NN)(C(=O)O)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O3/c1-10(13-12,9(15)16)8(14)6-2-4-7(11)5-3-6/h2-5,8,13-14H,12H2,1H3,(H,15,16)
InChIKeyFRGJMBVVJGPHFA-UHFFFAOYSA-N
XLogP0.17
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(betaR)-beta-Hydroxy-L-phenylalanine
CID 73562
DL-Phenylserine
CID 94134
rel-(betaS)-beta-Hydroxy-D-phenylalanine
CID 111178
3-Phenylserine
CID 12314153
(2S,3S)-2-azaniumyl-3-hydroxy-3-phenylpropanoate
CID 6919633
(2r,3r)-3-(21-Fluorophenyl)serine
CID 9990338
(2S)-2-Amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 91974957
D-threo-3-phenylserine
CID 672406
erythro-D-Phenylserine
CID 672407
Methyl 2-amino-3-hydroxy-3-phenylpropanoate
CID 3639766
Erythro-2-methyl-3-phenylserine
CID 9794172
(2S,3R)-Methyl 2-amino-3-hydroxy-3-phenylpropanoate
CID 10988112

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid (CID 166652474) is 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid is CC(NN)(C(=O)O)C(O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid?
The InChIKey is FRGJMBVVJGPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-10(13-12,9(15)16)8(14)6-2-4-7(11)5-3-6/h2-5,8,13-14H,12H2,1H3,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid?
3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid has a molecular weight of 228.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 166652474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).