2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid

C14H19NO3 — CID 62514825

IUPAC2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid
SMILESCc1ccc(N2CC(C)OCC2C)c(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-9-4-5-13(12(6-9)14(16)17)15-7-11(3)18-8-10(15)2/h4-6,10-11H,7-8H2,1-3H3,(H,16,17)
InChIKeyYCMQVMXEJXAPBE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid

2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid (PubChem CID 62514825) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid
PubChem CID62514825
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid
SMILESCc1ccc(N2CC(C)OCC2C)c(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-9-4-5-13(12(6-9)14(16)17)15-7-11(3)18-8-10(15)2/h4-6,10-11H,7-8H2,1-3H3,(H,16,17)
InChIKeyYCMQVMXEJXAPBE-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid (CID 62514825) is 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid is Cc1ccc(N2CC(C)OCC2C)c(C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid?
The InChIKey is YCMQVMXEJXAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-4-5-13(12(6-9)14(16)17)15-7-11(3)18-8-10(15)2/h4-6,10-11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid?
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid is sourced from PubChem (CID 62514825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).