2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one

C8H15NO4 — CID 134917712

IUPAC2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(O)(CO)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO4/c1-8(12,6-10)7(11)9-2-4-13-5-3-9/h10,12H,2-6H2,1H3
InChIKeyQOKQTOKETZMCAO-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.41
Rot. Bonds2

About 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one

2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 134917712) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID134917712
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(O)(CO)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO4/c1-8(12,6-10)7(11)9-2-4-13-5-3-9/h10,12H,2-6H2,1H3
InChIKeyQOKQTOKETZMCAO-UHFFFAOYSA-N
XLogP-1.41
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one (CID 134917712) is 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one is CC(O)(CO)C(=O)N1CCOCC1.
What is the InChIKey of 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is QOKQTOKETZMCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(12,6-10)7(11)9-2-4-13-5-3-9/h10,12H,2-6H2,1H3.
What are the key properties of 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one?
2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 189.21 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134917712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).