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

C7H13NO4 — CID 134988188

IUPAC2,3-dihydroxy-1-morpholin-4-ylpropan-1-one
SMILESO=C(C(O)CO)N1CCOCC1
InChIInChI=1S/C7H13NO4/c9-5-6(10)7(11)8-1-3-12-4-2-8/h6,9-10H,1-5H2
InChIKeyAYGOIIDKEHULEC-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.80
Rot. Bonds2

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

2,3-dihydroxy-1-morpholin-4-ylpropan-1-one (PubChem CID 134988188) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1-morpholin-4-ylpropan-1-one
PubChem CID134988188
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2,3-dihydroxy-1-morpholin-4-ylpropan-1-one
SMILESO=C(C(O)CO)N1CCOCC1
InChIInChI=1S/C7H13NO4/c9-5-6(10)7(11)8-1-3-12-4-2-8/h6,9-10H,1-5H2
InChIKeyAYGOIIDKEHULEC-UHFFFAOYSA-N
XLogP-1.80
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one (CID 134988188) is 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one is O=C(C(O)CO)N1CCOCC1.
What is the InChIKey of 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is AYGOIIDKEHULEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-5-6(10)7(11)8-1-3-12-4-2-8/h6,9-10H,1-5H2.
What are the key properties of 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one?
2,3-dihydroxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 175.18 g/mol, XLogP of -1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134988188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).