(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one

C16H24N2O2 — CID 61155949

IUPAC(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCCC1COC(C)CN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-14-11-20-12(2)10-18(14)16(19)15(17)9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3/t12?,14?,15-/m0/s1
InChIKeyADSWZYQCUVTUFS-ZALBZXLWSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one

(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one (PubChem CID 61155949) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
PubChem CID61155949
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCCC1COC(C)CN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-14-11-20-12(2)10-18(14)16(19)15(17)9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3/t12?,14?,15-/m0/s1
InChIKeyADSWZYQCUVTUFS-ZALBZXLWSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-one
CID 43650344
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104904754
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119335324
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one (CID 61155949) is (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one is CCC1COC(C)CN1C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one?
The InChIKey is ADSWZYQCUVTUFS-ZALBZXLWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14-11-20-12(2)10-18(14)16(19)15(17)9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3/t12?,14?,15-/m0/s1.
What are the key properties of (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one?
(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 61155949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).