[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride

C8H17ClN2O3 — CID 90333294

IUPAC[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride
SMILESC[C@@H](O)[C@H]([NH3+])C(=O)N1CCOCC1.[Cl-]
InChIInChI=1S/C8H16N2O3.ClH/c1-6(11)7(9)8(12)10-2-4-13-5-3-10;/h6-7,11H,2-5,9H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyNEXTVXKAXYOGRR-HHQFNNIRSA-N
MW224.69 g/mol
LogP-5.16
Rot. Bonds2

About [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride

[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride (PubChem CID 90333294) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride
PubChem CID90333294
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Name[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride
SMILESC[C@@H](O)[C@H]([NH3+])C(=O)N1CCOCC1.[Cl-]
InChIInChI=1S/C8H16N2O3.ClH/c1-6(11)7(9)8(12)10-2-4-13-5-3-10;/h6-7,11H,2-5,9H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyNEXTVXKAXYOGRR-HHQFNNIRSA-N
XLogP-5.16
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-5.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride?
The IUPAC name of [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride (CID 90333294) is [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride.
What is the SMILES notation for [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride?
The canonical SMILES for [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride is C[C@@H](O)[C@H]([NH3+])C(=O)N1CCOCC1.[Cl-].
What is the InChIKey of [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride?
The InChIKey is NEXTVXKAXYOGRR-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-6(11)7(9)8(12)10-2-4-13-5-3-10;/h6-7,11H,2-5,9H2,1H3;1H/t6-,7+;/m1./s1.
What are the key properties of [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride?
[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride has a molecular weight of 224.69 g/mol, XLogP of -5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]azanium chloride is sourced from PubChem (CID 90333294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).