(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one

C16H24N2O2 — CID 124596152

IUPAC(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C
InChIInChI=1S/C16H24N2O2/c1-4-14(17)16(19)18-9-15(20-10-12(18)3)13-8-6-5-7-11(13)2/h5-8,12,14-15H,4,9-10,17H2,1-3H3/t12-,14-,15-/m0/s1
InChIKeyWCDSXEGDEWFLSD-QEJZJMRPSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds3

About (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one

(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one (PubChem CID 124596152) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
PubChem CID124596152
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C
InChIInChI=1S/C16H24N2O2/c1-4-14(17)16(19)18-9-15(20-10-12(18)3)13-8-6-5-7-11(13)2/h5-8,12,14-15H,4,9-10,17H2,1-3H3/t12-,14-,15-/m0/s1
InChIKeyWCDSXEGDEWFLSD-QEJZJMRPSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
CID 96566156
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
CID 97007562
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one (CID 124596152) is (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one is CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The InChIKey is WCDSXEGDEWFLSD-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-14(17)16(19)18-9-15(20-10-12(18)3)13-8-6-5-7-11(13)2/h5-8,12,14-15H,4,9-10,17H2,1-3H3/t12-,14-,15-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.02, 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-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124596152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).