2,3-dimethyl-5-morpholin-4-ylbenzoic acid

C13H17NO3 — CID 79694761

IUPAC2,3-dimethyl-5-morpholin-4-ylbenzoic acid
SMILESCc1cc(N2CCOCC2)cc(C(=O)O)c1C
InChIInChI=1S/C13H17NO3/c1-9-7-11(14-3-5-17-6-4-14)8-12(10(9)2)13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyJPJKNUNTKLAACG-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.84
Rot. Bonds2

About 2,3-dimethyl-5-morpholin-4-ylbenzoic acid

2,3-dimethyl-5-morpholin-4-ylbenzoic acid (PubChem CID 79694761) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-morpholin-4-ylbenzoic acid
PubChem CID79694761
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2,3-dimethyl-5-morpholin-4-ylbenzoic acid
SMILESCc1cc(N2CCOCC2)cc(C(=O)O)c1C
InChIInChI=1S/C13H17NO3/c1-9-7-11(14-3-5-17-6-4-14)8-12(10(9)2)13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyJPJKNUNTKLAACG-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(3-methylazetidin-1-yl)benzoic acid
CID 79695599
2,3-dimethyl-5-(3-propan-2-ylazetidin-1-yl)benzoic acid
CID 79694660
2,3-dimethyl-5-pyrrol-1-ylbenzoic acid
CID 63019835
ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
CID 177031956
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid
CID 118539723
5-(3,5-dioxothiomorpholin-4-yl)-2,3-dimethylbenzoic acid
CID 113427862
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-morpholin-4-ylbenzoic acid?
The IUPAC name of 2,3-dimethyl-5-morpholin-4-ylbenzoic acid (CID 79694761) is 2,3-dimethyl-5-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2,3-dimethyl-5-morpholin-4-ylbenzoic acid is Cc1cc(N2CCOCC2)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-morpholin-4-ylbenzoic acid?
The InChIKey is JPJKNUNTKLAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-7-11(14-3-5-17-6-4-14)8-12(10(9)2)13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2,3-dimethyl-5-morpholin-4-ylbenzoic acid?
2,3-dimethyl-5-morpholin-4-ylbenzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 79694761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).