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

C11H22N2O3 — CID 103156842

IUPAC4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H22N2O3/c1-8-6-13(7-9(2)16-8)11(14)4-10(5-12)15-3/h8-10H,4-7,12H2,1-3H3/t8-,9+,10?
InChIKeyWRIIPJYXOPZFMX-ULKQDVFKSA-N
MW230.31 g/mol
LogP-0.01
Rot. Bonds4

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

4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one (PubChem CID 103156842) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one.

Molecular Properties

Compound Name4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
PubChem CID103156842
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H22N2O3/c1-8-6-13(7-9(2)16-8)11(14)4-10(5-12)15-3/h8-10H,4-7,12H2,1-3H3/t8-,9+,10?
InChIKeyWRIIPJYXOPZFMX-ULKQDVFKSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
CID 107220567
4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120597446
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
3-amino-1-(2,6-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 106110973
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
4-amino-1-(3,5-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120593084
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one?
The IUPAC name of 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one (CID 103156842) is 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one.
What is the SMILES notation for 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one?
The canonical SMILES for 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one is COC(CN)CC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one?
The InChIKey is WRIIPJYXOPZFMX-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-6-13(7-9(2)16-8)11(14)4-10(5-12)15-3/h8-10H,4-7,12H2,1-3H3/t8-,9+,10?.
What are the key properties of 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one?
4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one is sourced from PubChem (CID 103156842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).