(E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid

C11H15NO6 — CID 67281576

IUPAC(E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid
SMILESCC(OC(=O)/C=C/C(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C11H15NO6/c1-8(18-10(15)3-2-9(13)14)11(16)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+
InChIKeyUHUSOMUTZCBCLC-NSCUHMNNSA-N
MW257.24 g/mol
LogP-0.58
Rot. Bonds4

About (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid

(E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid (PubChem CID 67281576) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid
PubChem CID67281576
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name(E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid
SMILESCC(OC(=O)/C=C/C(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C11H15NO6/c1-8(18-10(15)3-2-9(13)14)11(16)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+
InChIKeyUHUSOMUTZCBCLC-NSCUHMNNSA-N
XLogP-0.58
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.58
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid (CID 67281576) is (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid is CC(OC(=O)/C=C/C(=O)O)C(=O)N1CCOCC1.
What is the InChIKey of (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid?
The InChIKey is UHUSOMUTZCBCLC-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H15NO6/c1-8(18-10(15)3-2-9(13)14)11(16)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+.
What are the key properties of (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid?
(E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid has a molecular weight of 257.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 67281576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).