2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid

C18H22FNO5 — CID 119248615

IUPAC2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CCO1
InChIInChI=1S/C18H22FNO5/c19-14-3-1-13(2-4-14)18(5-8-24-9-6-18)17(23)20-7-10-25-15(12-20)11-16(21)22/h1-4,15H,5-12H2,(H,21,22)
InChIKeyUQMWUMRIURWYSZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.58
Rot. Bonds4

About 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid

2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248615) has the molecular formula C18H22FNO5 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248615
Molecular FormulaC18H22FNO5
Molecular Weight351.37 g/mol
Exact Mass351.15
IUPAC Name2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CCO1
InChIInChI=1S/C18H22FNO5/c19-14-3-1-13(2-4-14)18(5-8-24-9-6-18)17(23)20-7-10-25-15(12-20)11-16(21)22/h1-4,15H,5-12H2,(H,21,22)
InChIKeyUQMWUMRIURWYSZ-UHFFFAOYSA-N
XLogP1.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607070
[1-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97127856
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid (CID 119248615) is 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CCO1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is UQMWUMRIURWYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO5/c19-14-3-1-13(2-4-14)18(5-8-24-9-6-18)17(23)20-7-10-25-15(12-20)11-16(21)22/h1-4,15H,5-12H2,(H,21,22).
What are the key properties of 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).