(2-methylmorpholin-3-yl) benzoate

C12H15NO3 — CID 174668133

IUPAC(2-methylmorpholin-3-yl) benzoate
SMILESCC1OCCNC1OC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9-11(13-7-8-15-9)16-12(14)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyZNWAOCLAZCWFAH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds2

About (2-methylmorpholin-3-yl) benzoate

(2-methylmorpholin-3-yl) benzoate (PubChem CID 174668133) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2-methylmorpholin-3-yl) benzoate.

Molecular Properties

Compound Name(2-methylmorpholin-3-yl) benzoate
PubChem CID174668133
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2-methylmorpholin-3-yl) benzoate
SMILESCC1OCCNC1OC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9-11(13-7-8-15-9)16-12(14)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyZNWAOCLAZCWFAH-UHFFFAOYSA-N
XLogP1.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
[(2S,3R,4R,5S)-4,5-dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl] benzoate
CID 51066637
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl] benzoate
CID 23241913
[(2R,3S,4S,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl] benzoate
CID 59911969
[(1R,6S,7R,9S)-9-methyl-2,5,8-trioxabicyclo[5.2.1]decan-6-yl] benzoate
CID 100967157
(4,5,6-tribenzoyloxy-2-methyloxan-3-yl) benzoate
CID 4091950
(2-methyl-3-methylsulfanylcarbothioyloxyoxan-4-yl) benzoate
CID 76804688
3-methoxy-2-methylmorpholine
CID 174493858
[(2R,4R,5S)-3-benzoyloxy-2-hydroxy-5-methyloxan-4-yl] benzoate
CID 58572330
methane;[(2S,3S,4S)-2-methyl-3-methylsulfanylcarbothioyloxyoxan-4-yl] benzoate
CID 159262059
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
(3,5-dimethylcyclohexyl) benzoate
CID 15157091

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-3-yl) benzoate?
The IUPAC name of (2-methylmorpholin-3-yl) benzoate (CID 174668133) is (2-methylmorpholin-3-yl) benzoate.
What is the SMILES notation for (2-methylmorpholin-3-yl) benzoate?
The canonical SMILES for (2-methylmorpholin-3-yl) benzoate is CC1OCCNC1OC(=O)c1ccccc1.
What is the InChIKey of (2-methylmorpholin-3-yl) benzoate?
The InChIKey is ZNWAOCLAZCWFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-11(13-7-8-15-9)16-12(14)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3.
What are the key properties of (2-methylmorpholin-3-yl) benzoate?
(2-methylmorpholin-3-yl) benzoate has a molecular weight of 221.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-3-yl) benzoate is sourced from PubChem (CID 174668133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).