4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid

C16H20FNO4 — CID 119216750

IUPAC4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
SMILESCC(CCc1ccccc1F)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H20FNO4/c1-11(6-7-12-4-2-3-5-13(12)17)15(19)18-8-9-22-10-14(18)16(20)21/h2-5,11,14H,6-10H2,1H3,(H,20,21)
InChIKeyLMUHSCJEIUFNNR-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.71
Rot. Bonds5

About 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid

4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid (PubChem CID 119216750) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
PubChem CID119216750
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
SMILESCC(CCc1ccccc1F)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H20FNO4/c1-11(6-7-12-4-2-3-5-13(12)17)15(19)18-8-9-22-10-14(18)16(20)21/h2-5,11,14H,6-10H2,1H3,(H,20,21)
InChIKeyLMUHSCJEIUFNNR-UHFFFAOYSA-N
XLogP1.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 124692471
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
CID 125150196
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124688628
(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124692467
(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid (CID 119216750) is 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid is CC(CCc1ccccc1F)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
The InChIKey is LMUHSCJEIUFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-11(6-7-12-4-2-3-5-13(12)17)15(19)18-8-9-22-10-14(18)16(20)21/h2-5,11,14H,6-10H2,1H3,(H,20,21).
What are the key properties of 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).