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

C16H19NO5 — CID 126784174

IUPAC4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESCCOc1ccccc1C=CC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H19NO5/c1-2-22-14-6-4-3-5-12(14)7-8-15(18)17-9-10-21-11-13(17)16(19)20/h3-8,13H,2,9-11H2,1H3,(H,19,20)
InChIKeyREUAQTUDOYKXEN-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.41
Rot. Bonds5

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

4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid (PubChem CID 126784174) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
PubChem CID126784174
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESCCOc1ccccc1C=CC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H19NO5/c1-2-22-14-6-4-3-5-12(14)7-8-15(18)17-9-10-21-11-13(17)16(19)20/h3-8,13H,2,9-11H2,1H3,(H,19,20)
InChIKeyREUAQTUDOYKXEN-UHFFFAOYSA-N
XLogP1.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.41
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

4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126772311
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513575
4-[3-(2,4-dimethylphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073589
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
(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
4-[3-(4-bromophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073541
(3S)-4-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407880
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 126779856
(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
(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-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid (CID 126784174) is 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid is CCOc1ccccc1C=CC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The InChIKey is REUAQTUDOYKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-22-14-6-4-3-5-12(14)7-8-15(18)17-9-10-21-11-13(17)16(19)20/h3-8,13H,2,9-11H2,1H3,(H,19,20).
What are the key properties of 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 126784174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).