(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

C15H22N2O2 — CID 61430243

IUPAC(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1(C)COCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2)11-19-9-8-17(15)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3/t13-/m0/s1
InChIKeyFIEKVMRGBGZCHL-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (PubChem CID 61430243) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
PubChem CID61430243
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1(C)COCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2)11-19-9-8-17(15)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3/t13-/m0/s1
InChIKeyFIEKVMRGBGZCHL-ZDUSSCGKSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
CID 79022791
2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88695197
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110421746
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 48862252
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
2-amino-1-[(2S)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 144572349
2-amino-1-(2-methyloxiran-2-yl)-3-phenylpropan-1-one
CID 59360950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (CID 61430243) is (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is CC1(C)COCCN1C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The InChIKey is FIEKVMRGBGZCHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)11-19-9-8-17(15)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 61430243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).