[(3S)-morpholin-3-yl] acetate

C6H11NO3 — CID 174732554

IUPAC[(3S)-morpholin-3-yl] acetate
SMILESCC(=O)O[C@H]1COCCN1
InChIInChI=1S/C6H11NO3/c1-5(8)10-6-4-9-3-2-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1
InChIKeyKSGIYAHVKILZFC-LURJTMIESA-N
MW145.16 g/mol
LogP-0.50
Rot. Bonds1

About [(3S)-morpholin-3-yl] acetate

[(3S)-morpholin-3-yl] acetate (PubChem CID 174732554) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(3S)-morpholin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-morpholin-3-yl] acetate
PubChem CID174732554
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(3S)-morpholin-3-yl] acetate
SMILESCC(=O)O[C@H]1COCCN1
InChIInChI=1S/C6H11NO3/c1-5(8)10-6-4-9-3-2-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1
InChIKeyKSGIYAHVKILZFC-LURJTMIESA-N
XLogP-0.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl morpholin-3-yl carbonate
CID 70458711
(3S)-3-iodomorpholine
CID 89004392
[(3S)-morpholin-3-yl]methyl ethaneperoxoate
CID 87550151
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
ethane;morpholine-3-carboxylic acid
CID 144576497
2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
CID 118107617
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
1-morpholin-3-ylpropan-1-one
CID 54487560
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
[(3S)-oxocan-3-yl] acetate
CID 92981900
ethane;(3S)-3-methylmorpholine
CID 145275253

Frequently Asked Questions

What is the IUPAC name of [(3S)-morpholin-3-yl] acetate?
The IUPAC name of [(3S)-morpholin-3-yl] acetate (CID 174732554) is [(3S)-morpholin-3-yl] acetate.
What is the SMILES notation for [(3S)-morpholin-3-yl] acetate?
The canonical SMILES for [(3S)-morpholin-3-yl] acetate is CC(=O)O[C@H]1COCCN1.
What is the InChIKey of [(3S)-morpholin-3-yl] acetate?
The InChIKey is KSGIYAHVKILZFC-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)10-6-4-9-3-2-7-6/h6-7H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of [(3S)-morpholin-3-yl] acetate?
[(3S)-morpholin-3-yl] acetate has a molecular weight of 145.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-morpholin-3-yl] acetate is sourced from PubChem (CID 174732554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).