(2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one

C7H13NO3 — CID 11062669

IUPAC(2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C7H13NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyLIEYNOJBDICZQM-LURJTMIESA-N
MW159.19 g/mol
LogP-0.77
Rot. Bonds1

About (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one

(2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one (PubChem CID 11062669) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one
PubChem CID11062669
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C7H13NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyLIEYNOJBDICZQM-LURJTMIESA-N
XLogP-0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one (CID 11062669) is (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one is C[C@H](O)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is LIEYNOJBDICZQM-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h6,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one?
(2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 159.19 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 11062669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).