[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate

C12H21NO4 — CID 25138440

IUPAC[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4/c1-10(17-11(2)14)4-3-5-12(15)13-6-8-16-9-7-13/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyTZBNNNVIKNUEMG-SNVBAGLBSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds5

About [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate

[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate (PubChem CID 25138440) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
PubChem CID25138440
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4/c1-10(17-11(2)14)4-3-5-12(15)13-6-8-16-9-7-13/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyTZBNNNVIKNUEMG-SNVBAGLBSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
(5R)-5-acetyloxyhexanoic acid
CID 87649956
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
ethyl 5-acetyloxyhexanoate
CID 529299
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
2-(1-aminopropan-2-yloxy)-1-morpholin-4-ylethanone
CID 82352680
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate?
The IUPAC name of [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate (CID 25138440) is [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate.
What is the SMILES notation for [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate?
The canonical SMILES for [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate is CC(=O)O[C@H](C)CCCC(=O)N1CCOCC1.
What is the InChIKey of [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate?
The InChIKey is TZBNNNVIKNUEMG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-10(17-11(2)14)4-3-5-12(15)13-6-8-16-9-7-13/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate?
[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate is sourced from PubChem (CID 25138440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).