3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid

C15H16FNO4 — CID 76913957

IUPAC3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
SMILESCC1CN(C(=O)c2ccc(C=CC(=O)O)c(F)c2)CCO1
InChIInChI=1S/C15H16FNO4/c1-10-9-17(6-7-21-10)15(20)12-3-2-11(13(16)8-12)4-5-14(18)19/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)
InChIKeyOJRLPSYSEJPJAH-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.78
Rot. Bonds3

About 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid

3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid (PubChem CID 76913957) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
PubChem CID76913957
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
SMILESCC1CN(C(=O)c2ccc(C=CC(=O)O)c(F)c2)CCO1
InChIInChI=1S/C15H16FNO4/c1-10-9-17(6-7-21-10)15(20)12-3-2-11(13(16)8-12)4-5-14(18)19/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)
InChIKeyOJRLPSYSEJPJAH-UHFFFAOYSA-N
XLogP1.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic 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

3-[4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76907103
(E)-3-[2-(2-methylmorpholine-4-carbonyl)thiophen-3-yl]prop-2-enoic acid
CID 63800351
(4-fluoro-3-sulfanylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 107028932
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(E)-3-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 109375240
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid (CID 76913957) is 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid is CC1CN(C(=O)c2ccc(C=CC(=O)O)c(F)c2)CCO1.
What is the InChIKey of 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid?
The InChIKey is OJRLPSYSEJPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-10-9-17(6-7-21-10)15(20)12-3-2-11(13(16)8-12)4-5-14(18)19/h2-5,8,10H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid?
3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid has a molecular weight of 293.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 76913957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).