3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid

C22H25NO4 — CID 56598851

IUPAC3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid
SMILESCc1cccc(C)c1C(=O)c1ccc(C2CN(CCC(=O)O)CCO2)cc1
InChIInChI=1S/C22H25NO4/c1-15-4-3-5-16(2)21(15)22(26)18-8-6-17(7-9-18)19-14-23(12-13-27-19)11-10-20(24)25/h3-9,19H,10-14H2,1-2H3,(H,24,25)
InChIKeyZMOBHDURWXKLES-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.38
Rot. Bonds6

About 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid

3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid (PubChem CID 56598851) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid
PubChem CID56598851
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid
SMILESCc1cccc(C)c1C(=O)c1ccc(C2CN(CCC(=O)O)CCO2)cc1
InChIInChI=1S/C22H25NO4/c1-15-4-3-5-16(2)21(15)22(26)18-8-6-17(7-9-18)19-14-23(12-13-27-19)11-10-20(24)25/h3-9,19H,10-14H2,1-2H3,(H,24,25)
InChIKeyZMOBHDURWXKLES-UHFFFAOYSA-N
XLogP3.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid (CID 56598851) is 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid is Cc1cccc(C)c1C(=O)c1ccc(C2CN(CCC(=O)O)CCO2)cc1.
What is the InChIKey of 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid?
The InChIKey is ZMOBHDURWXKLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-4-3-5-16(2)21(15)22(26)18-8-6-17(7-9-18)19-14-23(12-13-27-19)11-10-20(24)25/h3-9,19H,10-14H2,1-2H3,(H,24,25).
What are the key properties of 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid?
3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid has a molecular weight of 367.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,6-dimethylbenzoyl)phenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 56598851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).