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

C15H18FNO5 — CID 119247688

IUPAC2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
SMILESCCOc1c(F)cccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H18FNO5/c1-2-21-14-11(4-3-5-12(14)16)15(20)17-6-7-22-10(9-17)8-13(18)19/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChIKeyIGFWOWIQUIQBAG-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.54
Rot. Bonds5

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

2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119247688) has the molecular formula C15H18FNO5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
PubChem CID119247688
Molecular FormulaC15H18FNO5
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
SMILESCCOc1c(F)cccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H18FNO5/c1-2-21-14-11(4-3-5-12(14)16)15(20)17-6-7-22-10(9-17)8-13(18)19/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChIKeyIGFWOWIQUIQBAG-UHFFFAOYSA-N
XLogP1.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[4-[3-(2-fluorophenyl)but-2-enoyl]morpholin-2-yl]acetic acid
CID 126794392
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid (CID 119247688) is 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid is CCOc1c(F)cccc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is IGFWOWIQUIQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO5/c1-2-21-14-11(4-3-5-12(14)16)15(20)17-6-7-22-10(9-17)8-13(18)19/h3-5,10H,2,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 311.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).