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

C14H14FNO4 — CID 124513575

IUPAC(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H14FNO4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-9-12(16)14(18)19/h1-6,12H,7-9H2,(H,18,19)/b6-5+/t12-/m1/s1
InChIKeyYIFJIOVPNWUWOE-BTDICHCPSA-N
MW279.27 g/mol
LogP1.15
Rot. Bonds3

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

(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid (PubChem CID 124513575) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
PubChem CID124513575
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H14FNO4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-9-12(16)14(18)19/h1-6,12H,7-9H2,(H,18,19)/b6-5+/t12-/m1/s1
InChIKeyYIFJIOVPNWUWOE-BTDICHCPSA-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

(2S)-1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92919828
4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126784174
(3S)-4-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407880
4-[3-(2,4-dimethylphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073589
4-[3-(2-fluorophenyl)but-2-enoyl]morpholine-3-carboxylic acid
CID 126790389
4-[3-(furan-2-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073562
(3S)-4-[(Z)-3-(furan-2-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407884
4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126772311
4-[3-(4-bromophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073541
(4R)-3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 93310303
(3S)-4-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513672
4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126795330

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid (CID 124513575) is (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)/C=C/c1ccccc1F.
What is the InChIKey of (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The InChIKey is YIFJIOVPNWUWOE-BTDICHCPSA-N. The full InChI is InChI=1S/C14H14FNO4/c15-11-4-2-1-3-10(11)5-6-13(17)16-7-8-20-9-12(16)14(18)19/h1-6,12H,7-9H2,(H,18,19)/b6-5+/t12-/m1/s1.
What are the key properties of (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-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 (3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).