3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid

C13H14FNO4 — CID 62231452

IUPAC3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FNO4/c14-10-3-1-9(2-4-10)11-8-15(5-6-19-11)12(16)7-13(17)18/h1-4,11H,5-8H2,(H,17,18)
InChIKeyOKIUJTIRNBOLQW-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.20
Rot. Bonds3

About 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid

3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid (PubChem CID 62231452) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
PubChem CID62231452
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FNO4/c14-10-3-1-9(2-4-10)11-8-15(5-6-19-11)12(16)7-13(17)18/h1-4,11H,5-8H2,(H,17,18)
InChIKeyOKIUJTIRNBOLQW-UHFFFAOYSA-N
XLogP1.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid (CID 62231452) is 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid is O=C(O)CC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid?
The InChIKey is OKIUJTIRNBOLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-10-3-1-9(2-4-10)11-8-15(5-6-19-11)12(16)7-13(17)18/h1-4,11H,5-8H2,(H,17,18).
What are the key properties of 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid?
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid has a molecular weight of 267.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid is sourced from PubChem (CID 62231452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).