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

C8H11NO5 — CID 61327767

IUPAC2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)COCC1=O
InChIInChI=1S/C8H11NO5/c1-8(2,7(12)13)9-5(10)3-14-4-6(9)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyFHUKBZFZYYZFRY-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.76
Rot. Bonds2

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

2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid (PubChem CID 61327767) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid
PubChem CID61327767
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)COCC1=O
InChIInChI=1S/C8H11NO5/c1-8(2,7(12)13)9-5(10)3-14-4-6(9)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyFHUKBZFZYYZFRY-UHFFFAOYSA-N
XLogP-0.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.76
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-methylpropanoic acid?
The IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid (CID 61327767) is 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)N1C(=O)COCC1=O.
What is the InChIKey of 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid?
The InChIKey is FHUKBZFZYYZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-8(2,7(12)13)9-5(10)3-14-4-6(9)11/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid?
2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.76, 2 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-methylpropanoic acid is sourced from PubChem (CID 61327767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).