3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid

C11H21NO3 — CID 22683272

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
SMILESCC1CN(CC(C)(C)C(=O)O)CC(C)O1
InChIInChI=1S/C11H21NO3/c1-8-5-12(6-9(2)15-8)7-11(3,4)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyKBKRCKGDEAKBAI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid

3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid (PubChem CID 22683272) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
PubChem CID22683272
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
SMILESCC1CN(CC(C)(C)C(=O)O)CC(C)O1
InChIInChI=1S/C11H21NO3/c1-8-5-12(6-9(2)15-8)7-11(3,4)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyKBKRCKGDEAKBAI-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
CID 82041291
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 104960237
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
3-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)-2,2-dimethylpropanoic acid
CID 175558595
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid (CID 22683272) is 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid is CC1CN(CC(C)(C)C(=O)O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid?
The InChIKey is KBKRCKGDEAKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-5-12(6-9(2)15-8)7-11(3,4)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid?
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 22683272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).