2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid

C11H17NO5 — CID 114993888

IUPAC2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)N1C(=O)COCC1=O
InChIInChI=1S/C11H17NO5/c1-7(2)4-11(3,10(15)16)12-8(13)5-17-6-9(12)14/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyHPKKJTZAHXWQBY-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.26
Rot. Bonds4

About 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid

2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid (PubChem CID 114993888) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid
PubChem CID114993888
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)N1C(=O)COCC1=O
InChIInChI=1S/C11H17NO5/c1-7(2)4-11(3,10(15)16)12-8(13)5-17-6-9(12)14/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyHPKKJTZAHXWQBY-UHFFFAOYSA-N
XLogP0.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid (CID 114993888) is 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid is CC(C)CC(C)(C(=O)O)N1C(=O)COCC1=O.
What is the InChIKey of 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid?
The InChIKey is HPKKJTZAHXWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7(2)4-11(3,10(15)16)12-8(13)5-17-6-9(12)14/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid?
2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).