(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one

C14H28N2O2 — CID 102743783

IUPAC(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-7-10(2)11(15)12(17)16-8-13(3,4)18-14(5,6)9-16/h10-11H,7-9,15H2,1-6H3/t10?,11-/m0/s1
InChIKeyVSSYQZSOHJGRON-DTIOYNMSSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds3

About (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one

(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one (PubChem CID 102743783) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
PubChem CID102743783
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-7-10(2)11(15)12(17)16-8-13(3,4)18-14(5,6)9-16/h10-11H,7-9,15H2,1-6H3/t10?,11-/m0/s1
InChIKeyVSSYQZSOHJGRON-DTIOYNMSSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743719
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743605
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
CID 107219842
2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102737661
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 107905897
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one (CID 102743783) is (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one is CCC(C)[C@H](N)C(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one?
The InChIKey is VSSYQZSOHJGRON-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-10(2)11(15)12(17)16-8-13(3,4)18-14(5,6)9-16/h10-11H,7-9,15H2,1-6H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one?
(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 102743783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).