4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid

C15H16FNO5 — CID 126795330

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESCOc1ccc(C=CC(=O)N2CCOCC2C(=O)O)cc1F
InChIInChI=1S/C15H16FNO5/c1-21-13-4-2-10(8-11(13)16)3-5-14(18)17-6-7-22-9-12(17)15(19)20/h2-5,8,12H,6-7,9H2,1H3,(H,19,20)
InChIKeyIZIZNIFDHSHCGH-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.16
Rot. Bonds4

About 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid

4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid (PubChem CID 126795330) has the molecular formula C15H16FNO5 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
PubChem CID126795330
Molecular FormulaC15H16FNO5
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESCOc1ccc(C=CC(=O)N2CCOCC2C(=O)O)cc1F
InChIInChI=1S/C15H16FNO5/c1-21-13-4-2-10(8-11(13)16)3-5-14(18)17-6-7-22-9-12(17)15(19)20/h2-5,8,12H,6-7,9H2,1H3,(H,19,20)
InChIKeyIZIZNIFDHSHCGH-UHFFFAOYSA-N
XLogP1.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407880
4-[3-(4-bromophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073541
(E)-1-(2,5-dimethylmorpholin-4-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 86927373
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513575
4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126792204
(E)-3-(3-fluoro-4-methoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one
CID 42922875
4-[3-(2,4-dimethylphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073589
(3S)-4-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513672
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
(E)-1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one;hydrochloride
CID 122148051
(3S)-4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid (CID 126795330) is 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid is COc1ccc(C=CC(=O)N2CCOCC2C(=O)O)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The InChIKey is IZIZNIFDHSHCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5/c1-21-13-4-2-10(8-11(13)16)3-5-14(18)17-6-7-22-9-12(17)15(19)20/h2-5,8,12H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 126795330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).