2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one

C11H22N2O2 — CID 106774404

IUPAC2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-7-9(13)3/h8-10H,4-7,12H2,1-3H3/t9-,10?/m1/s1
InChIKeyPJXJKFQQVYXOJB-YHMJZVADSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one

2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one (PubChem CID 106774404) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
PubChem CID106774404
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-7-9(13)3/h8-10H,4-7,12H2,1-3H3/t9-,10?/m1/s1
InChIKeyPJXJKFQQVYXOJB-YHMJZVADSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 106774307
4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 62331604
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774384
(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 124681873

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one (CID 106774404) is 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one is CC(C)CC(N)C(=O)N1CCOC[C@H]1C.
What is the InChIKey of 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one?
The InChIKey is PJXJKFQQVYXOJB-YHMJZVADSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-7-9(13)3/h8-10H,4-7,12H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one?
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one is sourced from PubChem (CID 106774404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).