4-(2,3-dihydroxypropyl)morpholine-3,5-dione

C7H11NO5 — CID 66176288

IUPAC4-(2,3-dihydroxypropyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CC(O)CO
InChIInChI=1S/C7H11NO5/c9-2-5(10)1-8-6(11)3-13-4-7(8)12/h5,9-10H,1-4H2
InChIKeyNQRKSUDNKYZBBG-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.28
Rot. Bonds3

About 4-(2,3-dihydroxypropyl)morpholine-3,5-dione

4-(2,3-dihydroxypropyl)morpholine-3,5-dione (PubChem CID 66176288) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2,3-dihydroxypropyl)morpholine-3,5-dione
PubChem CID66176288
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name4-(2,3-dihydroxypropyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CC(O)CO
InChIInChI=1S/C7H11NO5/c9-2-5(10)1-8-6(11)3-13-4-7(8)12/h5,9-10H,1-4H2
InChIKeyNQRKSUDNKYZBBG-UHFFFAOYSA-N
XLogP-2.28
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.28
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-(2,3-dihydroxypropyl)morpholine-3,5-dione?
The IUPAC name of 4-(2,3-dihydroxypropyl)morpholine-3,5-dione (CID 66176288) is 4-(2,3-dihydroxypropyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2,3-dihydroxypropyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2,3-dihydroxypropyl)morpholine-3,5-dione is O=C1COCC(=O)N1CC(O)CO.
What is the InChIKey of 4-(2,3-dihydroxypropyl)morpholine-3,5-dione?
The InChIKey is NQRKSUDNKYZBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-2-5(10)1-8-6(11)3-13-4-7(8)12/h5,9-10H,1-4H2.
What are the key properties of 4-(2,3-dihydroxypropyl)morpholine-3,5-dione?
4-(2,3-dihydroxypropyl)morpholine-3,5-dione has a molecular weight of 189.17 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropyl)morpholine-3,5-dione is sourced from PubChem (CID 66176288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).