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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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).