2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one

C11H19NO5 — CID 123270771

IUPAC2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one
SMILESCC(C)(C)OCC(O)C(=O)C1OCCNC1=O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-6-7(13)8(14)9-10(15)12-4-5-16-9/h7,9,13H,4-6H2,1-3H3,(H,12,15)
InChIKeyJVFLZQMBQVDMML-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.75
Rot. Bonds4

About 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one

2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one (PubChem CID 123270771) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one
PubChem CID123270771
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one
SMILESCC(C)(C)OCC(O)C(=O)C1OCCNC1=O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-6-7(13)8(14)9-10(15)12-4-5-16-9/h7,9,13H,4-6H2,1-3H3,(H,12,15)
InChIKeyJVFLZQMBQVDMML-UHFFFAOYSA-N
XLogP-0.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one?
The IUPAC name of 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one (CID 123270771) is 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one is CC(C)(C)OCC(O)C(=O)C1OCCNC1=O.
What is the InChIKey of 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one?
The InChIKey is JVFLZQMBQVDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-6-7(13)8(14)9-10(15)12-4-5-16-9/h7,9,13H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one?
2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one has a molecular weight of 245.27 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one is sourced from PubChem (CID 123270771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).