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

C15H22N2O2 — CID 124890111

IUPAC(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-13(16)15(18)17-9-11(2)19-10-14(17)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10,16H2,1-2H3/t11-,13-,14-/m0/s1
InChIKeyNKALIXWFNBCPJQ-UBHSHLNASA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds3

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

(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one (PubChem CID 124890111) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
PubChem CID124890111
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-13(16)15(18)17-9-11(2)19-10-14(17)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10,16H2,1-2H3/t11-,13-,14-/m0/s1
InChIKeyNKALIXWFNBCPJQ-UBHSHLNASA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one with MolForge

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Related Compounds

2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119335324
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61155949
4-(3-fluoroprop-1-en-2-yl)-2-methyl-5-phenylmorpholine
CID 142383852
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124572458
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 97023947

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one (CID 124890111) is (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one is CC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one?
The InChIKey is NKALIXWFNBCPJQ-UBHSHLNASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(16)15(18)17-9-11(2)19-10-14(17)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10,16H2,1-2H3/t11-,13-,14-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one?
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.71, 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-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 124890111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).