(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

C11H22N2O2 — CID 102743605

IUPAC(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(12)9(14)13-6-10(2,3)15-11(4,5)7-13/h8H,6-7,12H2,1-5H3/t8-/m0/s1
InChIKeyPQWUVCUZESVGIB-QMMMGPOBSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds1

About (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (PubChem CID 102743605) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
PubChem CID102743605
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(12)9(14)13-6-10(2,3)15-11(4,5)7-13/h8H,6-7,12H2,1-5H3/t8-/m0/s1
InChIKeyPQWUVCUZESVGIB-QMMMGPOBSA-N
XLogP0.75
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 ≤ 50.75
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-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (CID 102743605) is (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is C[C@H](N)C(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The InChIKey is PQWUVCUZESVGIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(12)9(14)13-6-10(2,3)15-11(4,5)7-13/h8H,6-7,12H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 102743605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).