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

C8H11NO6 — CID 107835374

IUPAC4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCN1C(=O)COCC1=O
InChIInChI=1S/C8H11NO6/c10-5(8(13)14)1-2-9-6(11)3-15-4-7(9)12/h5,10H,1-4H2,(H,13,14)
InChIKeyNGFJGFXTVRUOOL-UHFFFAOYSA-N
MW217.18 g/mol
LogP-1.79
Rot. Bonds4

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

4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid (PubChem CID 107835374) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid
PubChem CID107835374
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCN1C(=O)COCC1=O
InChIInChI=1S/C8H11NO6/c10-5(8(13)14)1-2-9-6(11)3-15-4-7(9)12/h5,10H,1-4H2,(H,13,14)
InChIKeyNGFJGFXTVRUOOL-UHFFFAOYSA-N
XLogP-1.79
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid?
The IUPAC name of 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid (CID 107835374) is 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid is O=C(O)C(O)CCN1C(=O)COCC1=O.
What is the InChIKey of 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid?
The InChIKey is NGFJGFXTVRUOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c10-5(8(13)14)1-2-9-6(11)3-15-4-7(9)12/h5,10H,1-4H2,(H,13,14).
What are the key properties of 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid?
4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid has a molecular weight of 217.18 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dioxomorpholin-4-yl)-2-hydroxybutanoic acid is sourced from PubChem (CID 107835374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).