(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid

C15H19NO4 — CID 18363070

IUPAC(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C15H19NO4/c17-15(18)6-3-13-1-4-14(5-2-13)20-12-9-16-7-10-19-11-8-16/h1-6H,7-12H2,(H,17,18)/b6-3+
InChIKeyZESLORLRNDMXJQ-ZZXKWVIFSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds6

About (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid

(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid (PubChem CID 18363070) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
PubChem CID18363070
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C15H19NO4/c17-15(18)6-3-13-1-4-14(5-2-13)20-12-9-16-7-10-19-11-8-16/h1-6H,7-12H2,(H,17,18)/b6-3+
InChIKeyZESLORLRNDMXJQ-ZZXKWVIFSA-N
XLogP1.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
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

1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
3-[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]prop-2-enoic acid
CID 76909708
3-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 78971549
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19542949
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
1-(1,3-benzodioxol-5-yl)-7-[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123241646
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid (CID 18363070) is (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid?
The InChIKey is ZESLORLRNDMXJQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H19NO4/c17-15(18)6-3-13-1-4-14(5-2-13)20-12-9-16-7-10-19-11-8-16/h1-6H,7-12H2,(H,17,18)/b6-3+.
What are the key properties of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid?
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 18363070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).