4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid

C15H19NO4 — CID 120686802

IUPAC4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
SMILESCc1cccc(C)c1CC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-11(2)12(10)8-14(17)16-6-7-20-9-13(16)15(18)19/h3-5,13H,6-9H2,1-2H3,(H,18,19)
InChIKeyWZEZTABFGDOHKJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.16
Rot. Bonds3

About 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid

4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid (PubChem CID 120686802) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
PubChem CID120686802
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
SMILESCc1cccc(C)c1CC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-11(2)12(10)8-14(17)16-6-7-20-9-13(16)15(18)19/h3-5,13H,6-9H2,1-2H3,(H,18,19)
InChIKeyWZEZTABFGDOHKJ-UHFFFAOYSA-N
XLogP1.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
CID 126772920
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840
4-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 119216342
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
CID 125151737
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
(3R)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133071
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid (CID 120686802) is 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid is Cc1cccc(C)c1CC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is WZEZTABFGDOHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-4-3-5-11(2)12(10)8-14(17)16-6-7-20-9-13(16)15(18)19/h3-5,13H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid?
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 120686802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).