3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid

C17H25NO5 — CID 138032643

IUPAC3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
SMILESCC1(C)CN(CC(C)(O)C(=O)O)CC(COc2ccccc2)O1
InChIInChI=1S/C17H25NO5/c1-16(2)11-18(12-17(3,21)15(19)20)9-14(23-16)10-22-13-7-5-4-6-8-13/h4-8,14,21H,9-12H2,1-3H3,(H,19,20)
InChIKeyMOEWZICJSKZSDX-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.38
Rot. Bonds6

About 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid

3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid (PubChem CID 138032643) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
PubChem CID138032643
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
SMILESCC1(C)CN(CC(C)(O)C(=O)O)CC(COc2ccccc2)O1
InChIInChI=1S/C17H25NO5/c1-16(2)11-18(12-17(3,21)15(19)20)9-14(23-16)10-22-13-7-5-4-6-8-13/h4-8,14,21H,9-12H2,1-3H3,(H,19,20)
InChIKeyMOEWZICJSKZSDX-UHFFFAOYSA-N
XLogP1.38
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 138032645
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 128978986
4-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 136552298
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
(2,5-dimethyl-1,3-oxazol-4-yl)-[(6R)-2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methanone
CID 129487805
1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 128989897
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
CID 122153629
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
CID 128976072
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 167817550
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779852
1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 128978656

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid (CID 138032643) is 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid is CC1(C)CN(CC(C)(O)C(=O)O)CC(COc2ccccc2)O1.
What is the InChIKey of 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MOEWZICJSKZSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-16(2)11-18(12-17(3,21)15(19)20)9-14(23-16)10-22-13-7-5-4-6-8-13/h4-8,14,21H,9-12H2,1-3H3,(H,19,20).
What are the key properties of 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid?
3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 323.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 138032643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).