2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid

C15H21NO3 — CID 43803249

IUPAC2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCc1ccc(C(C)(C(=O)O)N2CCOCC2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(12(2)10-11)15(3,14(17)18)16-6-8-19-9-7-16/h4-5,10H,6-9H2,1-3H3,(H,17,18)
InChIKeyAGTWWWNSKJETRV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid

2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid (PubChem CID 43803249) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
PubChem CID43803249
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCc1ccc(C(C)(C(=O)O)N2CCOCC2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(12(2)10-11)15(3,14(17)18)16-6-8-19-9-7-16/h4-5,10H,6-9H2,1-3H3,(H,17,18)
InChIKeyAGTWWWNSKJETRV-UHFFFAOYSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid
CID 43803297
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid
CID 43803253
2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 43803260
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396
3-(2-methylphenyl)-3-morpholin-4-ylbutanoic acid
CID 64527538
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
2-[2-[(2,5-dimethylphenyl)methylamino]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72878730
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid (CID 43803249) is 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid is Cc1ccc(C(C)(C(=O)O)N2CCOCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The InChIKey is AGTWWWNSKJETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-5-13(12(2)10-11)15(3,14(17)18)16-6-8-19-9-7-16/h4-5,10H,6-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 43803249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).