(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one

C16H24N2O2 — CID 125133936

IUPAC(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
SMILESCC[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O2/c1-3-14-11-18(10-12(2)20-14)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
InChIKeyKOLLWJIWPLKVQT-NWANDNLSSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds4

About (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one

(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 125133936) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
PubChem CID125133936
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
SMILESCC[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O2/c1-3-14-11-18(10-12(2)20-14)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
InChIKeyKOLLWJIWPLKVQT-NWANDNLSSA-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

Analyze (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
(2S)-2-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104958580
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 84588635
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61155949
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one (CID 125133936) is (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one is CC[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is KOLLWJIWPLKVQT-NWANDNLSSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14-11-18(10-12(2)20-14)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 (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one?
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-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 (2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 125133936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).