2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid

C10H13FN2O3 — CID 82128315

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
SMILESCOc1ccc(F)cc1C(C)(NN)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-10(13-12,9(14)15)7-5-6(11)3-4-8(7)16-2/h3-5,13H,12H2,1-2H3,(H,14,15)
InChIKeyVHUPLDWTSLJCSK-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.60
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid

2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid (PubChem CID 82128315) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
PubChem CID82128315
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
SMILESCOc1ccc(F)cc1C(C)(NN)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-10(13-12,9(14)15)7-5-6(11)3-4-8(7)16-2/h3-5,13H,12H2,1-2H3,(H,14,15)
InChIKeyVHUPLDWTSLJCSK-UHFFFAOYSA-N
XLogP0.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
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

2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82133860
4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
CID 146308272
2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide
CID 116848201
2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82131743
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
3-cyano-3-(5-fluoro-2-methoxyphenyl)butanoic acid
CID 146308166
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918063
5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
CID 142814279
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid (CID 82128315) is 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid is COc1ccc(F)cc1C(C)(NN)C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid?
The InChIKey is VHUPLDWTSLJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-10(13-12,9(14)15)7-5-6(11)3-4-8(7)16-2/h3-5,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid?
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid has a molecular weight of 228.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid is sourced from PubChem (CID 82128315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).