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

C19H23NO5 — CID 126792204

IUPAC4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C=Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H23NO5/c21-18(20-10-11-24-13-17(20)19(22)23)9-8-14-4-3-7-16(12-14)25-15-5-1-2-6-15/h3-4,7-9,12,15,17H,1-2,5-6,10-11,13H2,(H,22,23)
InChIKeyAYLYOTINQSXOPL-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.33
Rot. Bonds5

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

4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid (PubChem CID 126792204) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
PubChem CID126792204
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C=Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H23NO5/c21-18(20-10-11-24-13-17(20)19(22)23)9-8-14-4-3-7-16(12-14)25-15-5-1-2-6-15/h3-4,7-9,12,15,17H,1-2,5-6,10-11,13H2,(H,22,23)
InChIKeyAYLYOTINQSXOPL-UHFFFAOYSA-N
XLogP2.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.33
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-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568
(E)-3-[3-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135195
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
(2R)-1-[3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922252
4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126795330
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
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 43092189
(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
methyl 4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylate
CID 115670093

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid (CID 126792204) is 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)C=Cc1cccc(OC2CCCC2)c1.
What is the InChIKey of 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
The InChIKey is AYLYOTINQSXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c21-18(20-10-11-24-13-17(20)19(22)23)9-8-14-4-3-7-16(12-14)25-15-5-1-2-6-15/h3-4,7-9,12,15,17H,1-2,5-6,10-11,13H2,(H,22,23).
What are the key properties of 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid?
4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid has a molecular weight of 345.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 126792204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).