2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid

C13H14FNO5 — CID 107013727

IUPAC2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FNO5/c14-8-1-2-10(11(16)5-8)13(19)15-3-4-20-7-9(15)6-12(17)18/h1-2,5,9,16H,3-4,6-7H2,(H,17,18)
InChIKeyMVTURELLBPYNTK-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.85
Rot. Bonds3

About 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid

2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid (PubChem CID 107013727) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
PubChem CID107013727
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FNO5/c14-8-1-2-10(11(16)5-8)13(19)15-3-4-20-7-9(15)6-12(17)18/h1-2,5,9,16H,3-4,6-7H2,(H,17,18)
InChIKeyMVTURELLBPYNTK-UHFFFAOYSA-N
XLogP0.85
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid
CID 129469777
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid (CID 107013727) is 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)c1ccc(F)cc1O.
What is the InChIKey of 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid?
The InChIKey is MVTURELLBPYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c14-8-1-2-10(11(16)5-8)13(19)15-3-4-20-7-9(15)6-12(17)18/h1-2,5,9,16H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid?
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 107013727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).