2-morpholin-4-yl-4-phenylbut-3-enoic acid

C14H17NO3 — CID 57367845

IUPAC2-morpholin-4-yl-4-phenylbut-3-enoic acid
SMILESO=C(O)C(C=Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H17NO3/c16-14(17)13(15-8-10-18-11-9-15)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,16,17)
InChIKeyOPCJIPPCYHIRCL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.49
Rot. Bonds4

About 2-morpholin-4-yl-4-phenylbut-3-enoic acid

2-morpholin-4-yl-4-phenylbut-3-enoic acid (PubChem CID 57367845) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-4-phenylbut-3-enoic acid
PubChem CID57367845
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-morpholin-4-yl-4-phenylbut-3-enoic acid
SMILESO=C(O)C(C=Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H17NO3/c16-14(17)13(15-8-10-18-11-9-15)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,16,17)
InChIKeyOPCJIPPCYHIRCL-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-phenyl-2-pyrrolidin-1-ylbut-3-enoic acid
CID 102378815
4-[(E)-4-phenylbut-3-en-2-yl]morpholine
CID 101488129
4-(1,3-diphenylprop-2-enyl)morpholine
CID 56612112
(E,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenylbut-3-enoic acid
CID 7146137
2-(2-oxoazetidin-1-yl)-4-phenylbut-3-enoic acid
CID 70098226
(E)-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-phenylbut-3-enoic acid
CID 10177259
4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
CID 11198557
4-[3-(4-methylphenyl)-1-phenylprop-2-enyl]morpholine
CID 3607406
(2S)-1-(1-carboxy-3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 90960335
4-[(E)-1-deuterio-2-phenylethenyl]morpholine
CID 100965293
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylprop-2-enamide
CID 75281369

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-phenylbut-3-enoic acid?
The IUPAC name of 2-morpholin-4-yl-4-phenylbut-3-enoic acid (CID 57367845) is 2-morpholin-4-yl-4-phenylbut-3-enoic acid.
What is the SMILES notation for 2-morpholin-4-yl-4-phenylbut-3-enoic acid?
The canonical SMILES for 2-morpholin-4-yl-4-phenylbut-3-enoic acid is O=C(O)C(C=Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-4-phenylbut-3-enoic acid?
The InChIKey is OPCJIPPCYHIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(17)13(15-8-10-18-11-9-15)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,16,17).
What are the key properties of 2-morpholin-4-yl-4-phenylbut-3-enoic acid?
2-morpholin-4-yl-4-phenylbut-3-enoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-phenylbut-3-enoic acid is sourced from PubChem (CID 57367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).