2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid

C14H16FNO5 — CID 66435743

IUPAC2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1cccc(F)c1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H16FNO5/c1-20-11-4-2-3-10(15)13(11)14(19)16-5-6-21-9(8-16)7-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyZMBYQHRYGJOEHE-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.15
Rot. Bonds4

About 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid

2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid (PubChem CID 66435743) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
PubChem CID66435743
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1cccc(F)c1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H16FNO5/c1-20-11-4-2-3-10(15)13(11)14(19)16-5-6-21-9(8-16)7-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyZMBYQHRYGJOEHE-UHFFFAOYSA-N
XLogP1.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
CID 119249045
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid (CID 66435743) is 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid is COc1cccc(F)c1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is ZMBYQHRYGJOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-20-11-4-2-3-10(15)13(11)14(19)16-5-6-21-9(8-16)7-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 297.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).