(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one

C11H22N2O3 — CID 134519515

IUPAC(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
SMILESCO[C@H](C)[C@H](N)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H22N2O3/c1-7-5-13(6-8(2)16-7)11(14)10(12)9(3)15-4/h7-10H,5-6,12H2,1-4H3/t7?,8?,9-,10+/m1/s1
InChIKeyLMDFQXMFNVZHQJ-BMNUFHGDSA-N
MW230.31 g/mol
LogP-0.02
Rot. Bonds3

About (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one

(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one (PubChem CID 134519515) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
PubChem CID134519515
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
SMILESCO[C@H](C)[C@H](N)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H22N2O3/c1-7-5-13(6-8(2)16-7)11(14)10(12)9(3)15-4/h7-10H,5-6,12H2,1-4H3/t7?,8?,9-,10+/m1/s1
InChIKeyLMDFQXMFNVZHQJ-BMNUFHGDSA-N
XLogP-0.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
3-amino-1-(2,6-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 106110973
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
CID 941681
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
(2S)-2-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 91636201

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one?
The IUPAC name of (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one (CID 134519515) is (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one.
What is the SMILES notation for (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one?
The canonical SMILES for (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one is CO[C@H](C)[C@H](N)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one?
The InChIKey is LMDFQXMFNVZHQJ-BMNUFHGDSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7-5-13(6-8(2)16-7)11(14)10(12)9(3)15-4/h7-10H,5-6,12H2,1-4H3/t7?,8?,9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one?
(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one is sourced from PubChem (CID 134519515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).