4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid

C15H25NO5 — CID 123774854

IUPAC4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid
SMILESCC(C)(CC(C)(C)N1CCOCC1)OC(=O)C=CC(=O)O
InChIInChI=1S/C15H25NO5/c1-14(2,16-7-9-20-10-8-16)11-15(3,4)21-13(19)6-5-12(17)18/h5-6H,7-11H2,1-4H3,(H,17,18)
InChIKeyOIXGJHWCRZCARM-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.45
Rot. Bonds6

About 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid

4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid (PubChem CID 123774854) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid
PubChem CID123774854
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid
SMILESCC(C)(CC(C)(C)N1CCOCC1)OC(=O)C=CC(=O)O
InChIInChI=1S/C15H25NO5/c1-14(2,16-7-9-20-10-8-16)11-15(3,4)21-13(19)6-5-12(17)18/h5-6H,7-11H2,1-4H3,(H,17,18)
InChIKeyOIXGJHWCRZCARM-UHFFFAOYSA-N
XLogP1.45
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.45
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-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid?
The IUPAC name of 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid (CID 123774854) is 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid?
The canonical SMILES for 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid is CC(C)(CC(C)(C)N1CCOCC1)OC(=O)C=CC(=O)O.
What is the InChIKey of 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid?
The InChIKey is OIXGJHWCRZCARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,16-7-9-20-10-8-16)11-15(3,4)21-13(19)6-5-12(17)18/h5-6H,7-11H2,1-4H3,(H,17,18).
What are the key properties of 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid?
4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid has a molecular weight of 299.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 123774854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).