4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid

C10H13NO6 — CID 67281689

IUPAC4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)C=CC(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C10H13NO6/c12-8(11-3-5-16-6-4-11)7-17-10(15)2-1-9(13)14/h1-2H,3-7H2,(H,13,14)
InChIKeyWAKONPZKUBNTEE-UHFFFAOYSA-N
MW243.21 g/mol
LogP-0.97
Rot. Bonds4

About 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid

4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid (PubChem CID 67281689) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid
PubChem CID67281689
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)C=CC(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C10H13NO6/c12-8(11-3-5-16-6-4-11)7-17-10(15)2-1-9(13)14/h1-2H,3-7H2,(H,13,14)
InChIKeyWAKONPZKUBNTEE-UHFFFAOYSA-N
XLogP-0.97
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(morpholin-4-ylmethoxy)-4-oxobut-2-enoic acid
CID 123954244
(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoic acid
CID 71711598
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2587163
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 7583296
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
2-(1-aminopropan-2-yloxy)-1-morpholin-4-ylethanone
CID 82352680
(2-morpholin-4-yl-2-oxoethyl) 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 3968128

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid (CID 67281689) is 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid is O=C(O)C=CC(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid?
The InChIKey is WAKONPZKUBNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-8(11-3-5-16-6-4-11)7-17-10(15)2-1-9(13)14/h1-2H,3-7H2,(H,13,14).
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid?
4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid has a molecular weight of 243.21 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 67281689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).