4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid

C15H19NO4 — CID 62539492

IUPAC4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
SMILESCc1ccc(C)c(CC(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C15H19NO4/c1-10-3-4-11(2)12(7-10)8-14(17)16-5-6-20-13(9-16)15(18)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyAQQGVGLFDOETQT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.16
Rot. Bonds3

About 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid

4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid (PubChem CID 62539492) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
PubChem CID62539492
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
SMILESCc1ccc(C)c(CC(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C15H19NO4/c1-10-3-4-11(2)12(7-10)8-14(17)16-5-6-20-13(9-16)15(18)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyAQQGVGLFDOETQT-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

methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
4-[2-(2,4-dimethylphenyl)sulfanylacetyl]morpholine-2-carboxylic acid
CID 119357957
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239122
1-[2-(2,5-dimethylphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722057
4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 112532113
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124697408
(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
CID 129468451
1-(3-chloropiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63392909

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid (CID 62539492) is 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid is Cc1ccc(C)c(CC(=O)N2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is AQQGVGLFDOETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-4-11(2)12(7-10)8-14(17)16-5-6-20-13(9-16)15(18)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid?
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-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-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 62539492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).