3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

C12H24N2O2 — CID 106774586

IUPAC3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O2/c1-9-8-16-7-6-14(9)10(15)11(2,3)12(4,5)13/h9H,6-8,13H2,1-5H3/t9-/m1/s1
InChIKeyBZWACIMMWMUANA-SECBINFHSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds2

About 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one (PubChem CID 106774586) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
PubChem CID106774586
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O2/c1-9-8-16-7-6-14(9)10(15)11(2,3)12(4,5)13/h9H,6-8,13H2,1-5H3/t9-/m1/s1
InChIKeyBZWACIMMWMUANA-SECBINFHSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-amino-2-methyl-1-(3-methylmorpholin-4-yl)pentan-1-one
CID 60848214
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774544
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide
CID 76926242
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
CID 76926390
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The IUPAC name of 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one (CID 106774586) is 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one is C[C@@H]1COCCN1C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The InChIKey is BZWACIMMWMUANA-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-8-16-7-6-14(9)10(15)11(2,3)12(4,5)13/h9H,6-8,13H2,1-5H3/t9-/m1/s1.
What are the key properties of 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 106774586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).