3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid

C11H21NO3 — CID 104959290

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO3/c1-7-5-12(6-8(2)15-7)10(4)9(3)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)/t7-,8+,9?,10?
InChIKeyLKMHLZZRVKZDJL-BQKDNTBBSA-N
MW215.29 g/mol
LogP1.20
Rot. Bonds3

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid (PubChem CID 104959290) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
PubChem CID104959290
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO3/c1-7-5-12(6-8(2)15-7)10(4)9(3)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)/t7-,8+,9?,10?
InChIKeyLKMHLZZRVKZDJL-BQKDNTBBSA-N
XLogP1.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylbutanoic acid
CID 79411263
2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 60644884
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358573
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
CID 119348720
2-(2,6-dimethylmorpholin-4-yl)-3-methoxypropanoic acid
CID 103224473
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
CID 103224901
3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
CID 79407467
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413727

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid (CID 104959290) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid is CC(C(=O)O)C(C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid?
The InChIKey is LKMHLZZRVKZDJL-BQKDNTBBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-5-12(6-8(2)15-7)10(4)9(3)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)/t7-,8+,9?,10?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid is sourced from PubChem (CID 104959290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).