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

C15H17NO5 — CID 29017799

IUPAC(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H17NO5/c17-14(16-7-9-20-10-8-16)11-21-13-4-1-12(2-5-13)3-6-15(18)19/h1-6H,7-11H2,(H,18,19)/b6-3+
InChIKeyAKTQWGAPUXKUQE-ZZXKWVIFSA-N
MW291.30 g/mol
LogP1.02
Rot. Bonds5

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

(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid (PubChem CID 29017799) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
PubChem CID29017799
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H17NO5/c17-14(16-7-9-20-10-8-16)11-21-13-4-1-12(2-5-13)3-6-15(18)19/h1-6H,7-11H2,(H,18,19)/b6-3+
InChIKeyAKTQWGAPUXKUQE-ZZXKWVIFSA-N
XLogP1.02
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.02
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

(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814820
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(E)-3-(3,4-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814823
(E)-3-[4-[2-oxo-2-[4-(thiophen-2-ylmethoxycarbonyl)piperazin-1-yl]ethoxy]phenyl]prop-2-enoic acid
CID 70302106
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
1-[4-[2-(4-iodophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452209
(E)-3-[4-(oxan-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 62386800
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
(E)-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017777

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid (CID 29017799) is (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid?
The InChIKey is AKTQWGAPUXKUQE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H17NO5/c17-14(16-7-9-20-10-8-16)11-21-13-4-1-12(2-5-13)3-6-15(18)19/h1-6H,7-11H2,(H,18,19)/b6-3+.
What are the key properties of (E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid?
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid has a molecular weight of 291.30 g/mol, XLogP of 1.02, 5 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-yl-2-oxoethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 29017799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).