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

C14H16FNO4 — CID 56892320

IUPAC2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCOCC2CC(=O)O)c(F)c1
InChIInChI=1S/C14H16FNO4/c1-9-2-3-11(12(15)6-9)14(19)16-4-5-20-8-10(16)7-13(17)18/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyPJMDUSYHXGWPLH-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.45
Rot. Bonds3

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

2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid (PubChem CID 56892320) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
PubChem CID56892320
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCOCC2CC(=O)O)c(F)c1
InChIInChI=1S/C14H16FNO4/c1-9-2-3-11(12(15)6-9)14(19)16-4-5-20-8-10(16)7-13(17)18/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyPJMDUSYHXGWPLH-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid (CID 56892320) is 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid is Cc1ccc(C(=O)N2CCOCC2CC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid?
The InChIKey is PJMDUSYHXGWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9-2-3-11(12(15)6-9)14(19)16-4-5-20-8-10(16)7-13(17)18/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid?
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid has a molecular weight of 281.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 56892320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).