4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione

C8H13NO5 — CID 164662166

IUPAC4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione
SMILESCC(C(O)CO)N1C(=O)COCC1=O
InChIInChI=1S/C8H13NO5/c1-5(6(11)2-10)9-7(12)3-14-4-8(9)13/h5-6,10-11H,2-4H2,1H3
InChIKeyDQFHLICIFYVOFI-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.89
Rot. Bonds3

About 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione

4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione (PubChem CID 164662166) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione
PubChem CID164662166
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione
SMILESCC(C(O)CO)N1C(=O)COCC1=O
InChIInChI=1S/C8H13NO5/c1-5(6(11)2-10)9-7(12)3-14-4-8(9)13/h5-6,10-11H,2-4H2,1H3
InChIKeyDQFHLICIFYVOFI-UHFFFAOYSA-N
XLogP-1.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.89
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-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione?
The IUPAC name of 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione (CID 164662166) is 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione?
The canonical SMILES for 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione is CC(C(O)CO)N1C(=O)COCC1=O.
What is the InChIKey of 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione?
The InChIKey is DQFHLICIFYVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-5(6(11)2-10)9-7(12)3-14-4-8(9)13/h5-6,10-11H,2-4H2,1H3.
What are the key properties of 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione?
4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione has a molecular weight of 203.19 g/mol, XLogP of -1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione is sourced from PubChem (CID 164662166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).