4-morpholin-4-yloxy-4-oxobut-2-enoic acid

C8H11NO5 — CID 57060308

IUPAC4-morpholin-4-yloxy-4-oxobut-2-enoic acid
SMILESO=C(O)C=CC(=O)ON1CCOCC1
InChIInChI=1S/C8H11NO5/c10-7(11)1-2-8(12)14-9-3-5-13-6-4-9/h1-2H,3-6H2,(H,10,11)
InChIKeyDNHRZHXHGLKYBH-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.58
Rot. Bonds3

About 4-morpholin-4-yloxy-4-oxobut-2-enoic acid

4-morpholin-4-yloxy-4-oxobut-2-enoic acid (PubChem CID 57060308) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-morpholin-4-yloxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-morpholin-4-yloxy-4-oxobut-2-enoic acid
PubChem CID57060308
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name4-morpholin-4-yloxy-4-oxobut-2-enoic acid
SMILESO=C(O)C=CC(=O)ON1CCOCC1
InChIInChI=1S/C8H11NO5/c10-7(11)1-2-8(12)14-9-3-5-13-6-4-9/h1-2H,3-6H2,(H,10,11)
InChIKeyDNHRZHXHGLKYBH-UHFFFAOYSA-N
XLogP-0.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
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 4-morpholin-4-yloxy-4-oxobut-2-enoic acid?
The IUPAC name of 4-morpholin-4-yloxy-4-oxobut-2-enoic acid (CID 57060308) is 4-morpholin-4-yloxy-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-morpholin-4-yloxy-4-oxobut-2-enoic acid?
The canonical SMILES for 4-morpholin-4-yloxy-4-oxobut-2-enoic acid is O=C(O)C=CC(=O)ON1CCOCC1.
What is the InChIKey of 4-morpholin-4-yloxy-4-oxobut-2-enoic acid?
The InChIKey is DNHRZHXHGLKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c10-7(11)1-2-8(12)14-9-3-5-13-6-4-9/h1-2H,3-6H2,(H,10,11).
What are the key properties of 4-morpholin-4-yloxy-4-oxobut-2-enoic acid?
4-morpholin-4-yloxy-4-oxobut-2-enoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yloxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 57060308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).