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

C9H13NO5 — CID 79628980

IUPAC3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1C(=O)COCC1=O)C(=O)O
InChIInChI=1S/C9H13NO5/c1-9(2,8(13)14)5-10-6(11)3-15-4-7(10)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyQRQWPJGLEIIIIA-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.52
Rot. Bonds3

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

3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid (PubChem CID 79628980) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid
PubChem CID79628980
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1C(=O)COCC1=O)C(=O)O
InChIInChI=1S/C9H13NO5/c1-9(2,8(13)14)5-10-6(11)3-15-4-7(10)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyQRQWPJGLEIIIIA-UHFFFAOYSA-N
XLogP-0.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.52
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 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid (CID 79628980) is 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1C(=O)COCC1=O)C(=O)O.
What is the InChIKey of 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid?
The InChIKey is QRQWPJGLEIIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-9(2,8(13)14)5-10-6(11)3-15-4-7(10)12/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid?
3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid has a molecular weight of 215.20 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79628980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).