2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid

C13H15FN2O4 — CID 66434587

IUPAC2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
SMILESNc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1F
InChIInChI=1S/C13H15FN2O4/c14-10-5-8(1-2-11(10)15)13(19)16-3-4-20-9(7-16)6-12(17)18/h1-2,5,9H,3-4,6-7,15H2,(H,17,18)
InChIKeyDJDSWOVBFNQIBP-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.72
Rot. Bonds3

About 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid

2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid (PubChem CID 66434587) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
PubChem CID66434587
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
SMILESNc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1F
InChIInChI=1S/C13H15FN2O4/c14-10-5-8(1-2-11(10)15)13(19)16-3-4-20-9(7-16)6-12(17)18/h1-2,5,9H,3-4,6-7,15H2,(H,17,18)
InChIKeyDJDSWOVBFNQIBP-UHFFFAOYSA-N
XLogP0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119248398
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420959
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid (CID 66434587) is 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid is Nc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1F.
What is the InChIKey of 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is DJDSWOVBFNQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-10-5-8(1-2-11(10)15)13(19)16-3-4-20-9(7-16)6-12(17)18/h1-2,5,9H,3-4,6-7,15H2,(H,17,18).
What are the key properties of 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 282.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).