2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate

C20H23FNO5- — CID 163161150

IUPAC2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate
SMILESCC(COC(=O)C(C)(C)CON([O-])O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H23FNO5/c1-14(12-26-19(23)20(2,3)13-27-22(24)25)16-9-10-17(18(21)11-16)15-7-5-4-6-8-15/h4-11,14,24H,12-13H2,1-3H3/q-1
InChIKeyKFFMOIZYHHJOEB-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.29
Rot. Bonds8

About 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate

2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate (PubChem CID 163161150) has the molecular formula C20H23FNO5- and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate
PubChem CID163161150
Molecular FormulaC20H23FNO5-
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate
SMILESCC(COC(=O)C(C)(C)CON([O-])O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H23FNO5/c1-14(12-26-19(23)20(2,3)13-27-22(24)25)16-9-10-17(18(21)11-16)15-7-5-4-6-8-15/h4-11,14,24H,12-13H2,1-3H3/q-1
InChIKeyKFFMOIZYHHJOEB-UHFFFAOYSA-N
XLogP4.29
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]amino]ethyl 2,2-dimethyl-3-nitrooxypropanoate
CID 95242605
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
3-aminopropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 139513351
(dibenzylamino) (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 87119000
3-ethoxy-2-(3-fluoro-4-phenylphenyl)-3-oxopropanoic acid
CID 176915568
2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403845
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
5-(3-fluoro-4-phenylphenyl)-4-oxohexanoic acid
CID 19785566

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate (CID 163161150) is 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate is CC(COC(=O)C(C)(C)CON([O-])O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate?
The InChIKey is KFFMOIZYHHJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FNO5/c1-14(12-26-19(23)20(2,3)13-27-22(24)25)16-9-10-17(18(21)11-16)15-7-5-4-6-8-15/h4-11,14,24H,12-13H2,1-3H3/q-1.
What are the key properties of 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate?
2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate has a molecular weight of 376.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)propyl 3-[hydroxy(oxido)amino]oxy-2,2-dimethylpropanoate is sourced from PubChem (CID 163161150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).