(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one

C11H22N2O2 — CID 61156475

IUPAC(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)9(12)10(14)13-5-6-15-11(3,4)7-13/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyOXSLHRBWZZRZII-VIFPVBQESA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds2

About (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one (PubChem CID 61156475) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
PubChem CID61156475
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)9(12)10(14)13-5-6-15-11(3,4)7-13/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyOXSLHRBWZZRZII-VIFPVBQESA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one (CID 61156475) is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The InChIKey is OXSLHRBWZZRZII-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)9(12)10(14)13-5-6-15-11(3,4)7-13/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one is sourced from PubChem (CID 61156475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).