4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C14H25NO4 — CID 43437352

IUPAC4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC1CN(C(=O)CC(C)(C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C14H25NO4/c1-9(2)14(5,13(17)18)6-12(16)15-7-10(3)19-11(4)8-15/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyRELVOONMNJSKBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.76
Rot. Bonds4

About 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43437352) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43437352
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC1CN(C(=O)CC(C)(C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C14H25NO4/c1-9(2)14(5,13(17)18)6-12(16)15-7-10(3)19-11(4)8-15/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyRELVOONMNJSKBH-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 43437352) is 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CC1CN(C(=O)CC(C)(C(=O)O)C(C)C)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is RELVOONMNJSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)14(5,13(17)18)6-12(16)15-7-10(3)19-11(4)8-15/h9-11H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43437352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).