(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one

C11H22N2O2 — CID 103928483

IUPAC(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
SMILESCC1COCCN1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-8-7-15-6-5-13(8)10(14)9(12)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8?,9-/m0/s1
InChIKeyUBMVMLLVTVQKEB-GKAPJAKFSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds1

About (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one

(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one (PubChem CID 103928483) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
PubChem CID103928483
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
SMILESCC1COCCN1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-8-7-15-6-5-13(8)10(14)9(12)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8?,9-/m0/s1
InChIKeyUBMVMLLVTVQKEB-GKAPJAKFSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774586
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 103928484
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
CID 76926390
2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 106774307
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 113266999
2-amino-1-(3-methylmorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 113279808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one (CID 103928483) is (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one is CC1COCCN1C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one?
The InChIKey is UBMVMLLVTVQKEB-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-7-15-6-5-13(8)10(14)9(12)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one?
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 103928483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).