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

C17H26N2O2 — CID 124682932

IUPAC(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C
InChIInChI=1S/C17H26N2O2/c1-4-7-15(18)17(20)19-10-16(21-11-13(19)3)14-9-6-5-8-12(14)2/h5-6,8-9,13,15-16H,4,7,10-11,18H2,1-3H3/t13-,15-,16+/m0/s1
InChIKeyOIBFNHVHWSAZIR-CWRNSKLLSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds4

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

(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one (PubChem CID 124682932) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
PubChem CID124682932
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C
InChIInChI=1S/C17H26N2O2/c1-4-7-15(18)17(20)19-10-16(21-11-13(19)3)14-9-6-5-8-12(14)2/h5-6,8-9,13,15-16H,4,7,10-11,18H2,1-3H3/t13-,15-,16+/m0/s1
InChIKeyOIBFNHVHWSAZIR-CWRNSKLLSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
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)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
(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
(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
(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-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one (CID 124682932) is (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one is CCC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one?
The InChIKey is OIBFNHVHWSAZIR-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-15(18)17(20)19-10-16(21-11-13(19)3)14-9-6-5-8-12(14)2/h5-6,8-9,13,15-16H,4,7,10-11,18H2,1-3H3/t13-,15-,16+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one?
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.41, 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-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 124682932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).