(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one

C12H21NO3 — CID 134964643

IUPAC(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)C1CCCCO1
InChIInChI=1S/C12H21NO3/c1-10(11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13/h10-11H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyBYQYFENZUTVWFF-VUWPPUDQSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds2

About (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one

(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one (PubChem CID 134964643) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
PubChem CID134964643
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)C1CCCCO1
InChIInChI=1S/C12H21NO3/c1-10(11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13/h10-11H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyBYQYFENZUTVWFF-VUWPPUDQSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-cyclohexyl-3-hydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134965746
1-(3-Methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione
CID 122544657
[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone
CID 154935332
(2R)-3-hydroxy-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
CID 176214195
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
CID 907746
(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
CID 907747
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
CID 907748
(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
CID 907749
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-methyl-1-morpholinopentan-1-one
CID 3559188
2-(Oxan-2-yl)-1-piperidin-1-ylethanone
CID 14294055
1-Morpholin-4-yl-2-(oxan-2-yl)ethanone
CID 80172775
4-[2-(Oxan-2-yl)acetyl]morpholine-2-carbonitrile
CID 80184346

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one (CID 134964643) is (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one is C[C@H](C(=O)N1CCOCC1)C1CCCCO1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one?
The InChIKey is BYQYFENZUTVWFF-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13/h10-11H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one?
(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one has a molecular weight of 227.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 134964643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).