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

C14H14FNO4 — CID 76918600

IUPAC4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C=Cc2ccccc2F)CCO1
InChIInChI=1S/C14H14FNO4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-12(9-16)14(18)19/h1-6,12H,7-9H2,(H,18,19)
InChIKeyFUBLBPVOVNYSSC-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.15
Rot. Bonds3

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

4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid (PubChem CID 76918600) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
PubChem CID76918600
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C=Cc2ccccc2F)CCO1
InChIInChI=1S/C14H14FNO4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-12(9-16)14(18)19/h1-6,12H,7-9H2,(H,18,19)
InChIKeyFUBLBPVOVNYSSC-UHFFFAOYSA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate
CID 78926628
4-[3-(2-fluorophenyl)but-2-enoyl]morpholine-2-carboxylic acid
CID 126781414
(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
CID 151039333
4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 126794452
1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091913
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796027
1-(3-aminopyrrolidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 126771868
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905990
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
(E)-1-(3-aminoazetidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 121200505
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513575
4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 129009152

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid (CID 76918600) is 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C=Cc2ccccc2F)CCO1.
What is the InChIKey of 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
The InChIKey is FUBLBPVOVNYSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-12(9-16)14(18)19/h1-6,12H,7-9H2,(H,18,19).
What are the key properties of 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 76918600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).